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Phenylpropanes

Organic compound that contain a propane chain with a phenyl substitution in the following structure: C₆H₅CH₂CH2CH3. These compounds are considered hydrocarbons.
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1 – 15 of 28 results
1

Benzethonium Chloride 97.0+%, TCI America™

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.088 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264 IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

PubChem CID 8478
CAS 121-54-0
Molecular Weight (g/mol) 448.088
ChEBI CHEBI:31264
MDL Number MFCD00011742
SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Synonym benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
IUPAC Name benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI Key UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula C27H42ClNO2
2

trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile 98.0+%, TCI America™

CAS: 300364-84-5 Molecular Formula: C17H18N2 Molecular Weight (g/mol): 250.345 MDL Number: MFCD03453260 InChI Key: OIASAVWSBWJWBR-UKTHLTGXSA-N Synonym: DCTB PubChem CID: 6382826 ChEBI: CHEBI:64343 IUPAC Name: 2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile SMILES: CC(=CC1=CC=C(C=C1)C(C)(C)C)C=C(C#N)C#N

PubChem CID 6382826
CAS 300364-84-5
Molecular Weight (g/mol) 250.345
ChEBI CHEBI:64343
MDL Number MFCD03453260
SMILES CC(=CC1=CC=C(C=C1)C(C)(C)C)C=C(C#N)C#N
Synonym DCTB
IUPAC Name 2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile
InChI Key OIASAVWSBWJWBR-UKTHLTGXSA-N
Molecular Formula C17H18N2
3

Diethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate 98.0+%, TCI America™

CAS: 976-56-7 Molecular Formula: C19H33O4P Molecular Weight (g/mol): 356.44 MDL Number: MFCD00227871 InChI Key: GJDRKHHGPHLVNI-UHFFFAOYSA-N Synonym: 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Diethyl Ester PubChem CID: 70421 IUPAC Name: diethyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonate SMILES: CCOP(=O)(CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)OCC

PubChem CID 70421
CAS 976-56-7
Molecular Weight (g/mol) 356.44
MDL Number MFCD00227871
SMILES CCOP(=O)(CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)OCC
Synonym 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Diethyl Ester
IUPAC Name diethyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonate
InChI Key GJDRKHHGPHLVNI-UHFFFAOYSA-N
Molecular Formula C19H33O4P
4

Voriconazole 98.0+%, TCI America™

CAS: 137234-62-9 Molecular Formula: C16H14F3N5O Molecular Weight (g/mol): 349.317 MDL Number: MFCD00905717 InChI Key: BCEHBSKCWLPMDN-MGPLVRAMSA-N Synonym: voriconazole,vfend,2r,3s-2-2,4-difluorophenyl-3-5-fluoropyrimidin-4-yl-1-1h-1,2,4-triazol-1-yl butan-2-ol,voriconazol,voriconazolum,voriconazole usan:inn:ban,unii-jfu09i87tr,vfend tn,2r,3s-2-2,4-difluorophenyl-3-5-fluoropyrimidin-4-yl-1-1,2,4-triazol-1-yl butan-2-ol,vcz PubChem CID: 71616 ChEBI: CHEBI:10023 IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol SMILES: CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

PubChem CID 71616
CAS 137234-62-9
Molecular Weight (g/mol) 349.317
ChEBI CHEBI:10023
MDL Number MFCD00905717
SMILES CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
Synonym voriconazole,vfend,2r,3s-2-2,4-difluorophenyl-3-5-fluoropyrimidin-4-yl-1-1h-1,2,4-triazol-1-yl butan-2-ol,voriconazol,voriconazolum,voriconazole usan:inn:ban,unii-jfu09i87tr,vfend tn,2r,3s-2-2,4-difluorophenyl-3-5-fluoropyrimidin-4-yl-1-1,2,4-triazol-1-yl butan-2-ol,vcz
IUPAC Name (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChI Key BCEHBSKCWLPMDN-MGPLVRAMSA-N
Molecular Formula C16H14F3N5O
5

2,2-Bis(2-hydroxy-5-biphenylyl)propane 98.0+%, TCI America™

CAS: 24038-68-4 Molecular Formula: C27H24O2 Molecular Weight (g/mol): 380.487 InChI Key: BKTRENAPTCBBFA-UHFFFAOYSA-N Synonym: 5,5′C-Isopropylidenebis(2-hydroxybiphenyl), 4,4′C-Isopropylidenebis(2-phenylphenol) PubChem CID: 13059052 IUPAC Name: 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol SMILES: CC(C)(C1=CC(=C(C=C1)O)C2=CC=CC=C2)C3=CC(=C(C=C3)O)C4=CC=CC=C4

PubChem CID 13059052
CAS 24038-68-4
Molecular Weight (g/mol) 380.487
SMILES CC(C)(C1=CC(=C(C=C1)O)C2=CC=CC=C2)C3=CC(=C(C=C3)O)C4=CC=CC=C4
Synonym 5,5′C-Isopropylidenebis(2-hydroxybiphenyl), 4,4′C-Isopropylidenebis(2-phenylphenol)
IUPAC Name 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
InChI Key BKTRENAPTCBBFA-UHFFFAOYSA-N
Molecular Formula C27H24O2
6

1,3-Bis[5-(4-tert-butylphenyl)-2-[1,3,4]oxadiazolyl]benzene 97.0+%, TCI America™

CAS: 138372-67-5 Molecular Formula: C30H30N4O2 Molecular Weight (g/mol): 478.60 MDL Number: MFCD03093214 InChI Key: FQJQNLKWTRGIEB-UHFFFAOYSA-N Synonym: 1,3-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzene, OXD-7 PubChem CID: 15320492 IUPAC Name: 2-(4-tert-butylphenyl)-5-{3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1,3,4-oxadiazole SMILES: CC(C)(C)C1=CC=C(C=C1)C1=NN=C(O1)C1=CC(=CC=C1)C1=NN=C(O1)C1=CC=C(C=C1)C(C)(C)C

PubChem CID 15320492
CAS 138372-67-5
Molecular Weight (g/mol) 478.60
MDL Number MFCD03093214
SMILES CC(C)(C)C1=CC=C(C=C1)C1=NN=C(O1)C1=CC(=CC=C1)C1=NN=C(O1)C1=CC=C(C=C1)C(C)(C)C
Synonym 1,3-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzene, OXD-7
IUPAC Name 2-(4-tert-butylphenyl)-5-{3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1,3,4-oxadiazole
InChI Key FQJQNLKWTRGIEB-UHFFFAOYSA-N
Molecular Formula C30H30N4O2
7

Probucol 98.0+%, TCI America™

CAS: 23288-49-5 Molecular Formula: C31H48O2S2 Molecular Weight (g/mol): 516.843 MDL Number: MFCD00079281 InChI Key: FYPMFJGVHOHGLL-UHFFFAOYSA-N Synonym: probucol,lorelco,biphenabid,bisphenabid,lurselle,bisbid,lesterol,lursell,panavir,probucolum PubChem CID: 4912 ChEBI: CHEBI:8427 IUPAC Name: 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

PubChem CID 4912
CAS 23288-49-5
Molecular Weight (g/mol) 516.843
ChEBI CHEBI:8427
MDL Number MFCD00079281
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
Synonym probucol,lorelco,biphenabid,bisphenabid,lurselle,bisbid,lesterol,lursell,panavir,probucolum
IUPAC Name 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol
InChI Key FYPMFJGVHOHGLL-UHFFFAOYSA-N
Molecular Formula C31H48O2S2
8

2-(3,5-Di-tert-butyl-2-hydroxyphenyl)-5-chlorobenzotriazole 98.0+%, TCI America™

CAS: 3864-99-1 Molecular Formula: C20H24ClN3O Molecular Weight (g/mol): 357.882 MDL Number: MFCD00059706 InChI Key: UWSMKYBKUPAEJQ-UHFFFAOYSA-N Synonym: 5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)benzotriazole, 2,4-Di-tert-butyl-6-(5-chloro-2-benzotriazolyl)phenol PubChem CID: 77470 IUPAC Name: 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol SMILES: CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C

PubChem CID 77470
CAS 3864-99-1
Molecular Weight (g/mol) 357.882
MDL Number MFCD00059706
SMILES CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
Synonym 5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)benzotriazole, 2,4-Di-tert-butyl-6-(5-chloro-2-benzotriazolyl)phenol
IUPAC Name 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
InChI Key UWSMKYBKUPAEJQ-UHFFFAOYSA-N
Molecular Formula C20H24ClN3O
9

2,2'-Thiodiethylene Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] 98.0+%, TCI America™

CAS: 41484-35-9 Molecular Formula: C38H58O6S Molecular Weight (g/mol): 642.94 MDL Number: MFCD00059346 InChI Key: VFBJXXJYHWLXRM-UHFFFAOYSA-N PubChem CID: 64883 IUPAC Name: 2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate SMILES: CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C

PubChem CID 64883
CAS 41484-35-9
Molecular Weight (g/mol) 642.94
MDL Number MFCD00059346
SMILES CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
IUPAC Name 2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
InChI Key VFBJXXJYHWLXRM-UHFFFAOYSA-N
Molecular Formula C38H58O6S
10

2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole 98.0+%, TCI America™

CAS: 3147-75-9 Molecular Formula: C20H25N3O Molecular Weight (g/mol): 323.44 MDL Number: MFCD00013338 InChI Key: IYAZLDLPUNDVAG-UHFFFAOYSA-N PubChem CID: 62485 IUPAC Name: 2-(2H-1,2,3-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(O)C(=C1)N1N=C2C=CC=CC2=N1

PubChem CID 62485
CAS 3147-75-9
Molecular Weight (g/mol) 323.44
MDL Number MFCD00013338
SMILES CC(C)(C)CC(C)(C)C1=CC=C(O)C(=C1)N1N=C2C=CC=CC2=N1
IUPAC Name 2-(2H-1,2,3-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI Key IYAZLDLPUNDVAG-UHFFFAOYSA-N
Molecular Formula C20H25N3O
11

Valethamate Bromide 98.0+%, TCI America™

CAS: 90-22-2 Molecular Formula: C19H32BrNO2 Molecular Weight (g/mol): 386.37 MDL Number: MFCD00031617 InChI Key: CEJGGHKJHDHLAZ-UHFFFAOYNA-M Synonym: valethamate bromide,ediposin,epidosin,epidozin,resitan,murel,valethamate bromide jan,n,n-diethyl-n-methyl-2-3-methyl-2-phenylpentanoyl oxy ethanaminium bromide,diethyl methyl 2-3-methyl-2-phenylvaleryloxy ethyl ammonium bromide,2-diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide PubChem CID: 7010 IUPAC Name: diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium bromide SMILES: [Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1

PubChem CID 7010
CAS 90-22-2
Molecular Weight (g/mol) 386.37
MDL Number MFCD00031617
SMILES [Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1
Synonym valethamate bromide,ediposin,epidosin,epidozin,resitan,murel,valethamate bromide jan,n,n-diethyl-n-methyl-2-3-methyl-2-phenylpentanoyl oxy ethanaminium bromide,diethyl methyl 2-3-methyl-2-phenylvaleryloxy ethyl ammonium bromide,2-diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide
IUPAC Name diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium bromide
InChI Key CEJGGHKJHDHLAZ-UHFFFAOYNA-M
Molecular Formula C19H32BrNO2
12

Ritodrine Hydrochloride 98.0+%, TCI America™

CAS: 23239-51-2 Molecular Formula: C17H22ClNO3 Molecular Weight (g/mol): 323.82 MDL Number: MFCD01657514 InChI Key: IDLSITKDRVDKRV-XHXSRVRCSA-N Synonym: N-(4-Hydroxyphenethyl)-4-hydroxynorephedrine Hydrochloride PubChem CID: 46911860 IUPAC Name: hydrogen 4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol chloride SMILES: [H+].[Cl-].C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1

PubChem CID 46911860
CAS 23239-51-2
Molecular Weight (g/mol) 323.82
MDL Number MFCD01657514
SMILES [H+].[Cl-].C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
Synonym N-(4-Hydroxyphenethyl)-4-hydroxynorephedrine Hydrochloride
IUPAC Name hydrogen 4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol chloride
InChI Key IDLSITKDRVDKRV-XHXSRVRCSA-N
Molecular Formula C17H22ClNO3
13

Xylometazoline Hydrochloride 98.0+%, TCI America™

CAS: 1218-35-5 Molecular Formula: C16H25ClN2 Molecular Weight (g/mol): 280.84 MDL Number: MFCD00238707 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N Synonym: xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride PubChem CID: 5282386 IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl

PubChem CID 5282386
CAS 1218-35-5
Molecular Weight (g/mol) 280.84
MDL Number MFCD00238707
SMILES CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
Synonym xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride
IUPAC Name 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
InChI Key YGWFCQYETHJKNX-UHFFFAOYSA-N
Molecular Formula C16H25ClN2
14

Bis(4-tert-butylphenyl)iodonium Hexafluorophosphate 98.0+%, TCI America™

CAS: 61358-25-6 Molecular Formula: C20H26F6IP Molecular Weight (g/mol): 538.30 MDL Number: MFCD06797070 InChI Key: CJLLNCQWBHTSCB-UHFFFAOYSA-N PubChem CID: 13906852 IUPAC Name: bis(4-tert-butylphenyl)iodanium; hexafluoro-λ⁵-phosphanuide SMILES: F[P-](F)(F)(F)(F)F.CC(C)(C)C1=CC=C([I+]C2=CC=C(C=C2)C(C)(C)C)C=C1

PubChem CID 13906852
CAS 61358-25-6
Molecular Weight (g/mol) 538.30
MDL Number MFCD06797070
SMILES F[P-](F)(F)(F)(F)F.CC(C)(C)C1=CC=C([I+]C2=CC=C(C=C2)C(C)(C)C)C=C1
IUPAC Name bis(4-tert-butylphenyl)iodanium; hexafluoro-λ⁵-phosphanuide
InChI Key CJLLNCQWBHTSCB-UHFFFAOYSA-N
Molecular Formula C20H26F6IP
15

Anastrozole 98.0+%, TCI America™

CAS: 120511-73-1 Molecular Formula: C17H19N5 Molecular Weight (g/mol): 293.374 MDL Number: MFCD00866298 InChI Key: YBBLVLTVTVSKRW-UHFFFAOYSA-N Synonym: anastrozole,arimidex,anastrazole,anastrozol,2,2'-5-1h-1,2,4-triazol-1-yl methyl-1,3-phenylene bis 2-methylpropanenitrile,anastrole,asiolex,zeneca zd 1033,unii-2z07myw1az,arimidex tn PubChem CID: 2187 ChEBI: CHEBI:2704 IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N

PubChem CID 2187
CAS 120511-73-1
Molecular Weight (g/mol) 293.374
ChEBI CHEBI:2704
MDL Number MFCD00866298
SMILES CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
Synonym anastrozole,arimidex,anastrazole,anastrozol,2,2'-5-1h-1,2,4-triazol-1-yl methyl-1,3-phenylene bis 2-methylpropanenitrile,anastrole,asiolex,zeneca zd 1033,unii-2z07myw1az,arimidex tn
IUPAC Name 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
InChI Key YBBLVLTVTVSKRW-UHFFFAOYSA-N
Molecular Formula C17H19N5