2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol

C23H24OS — CID 134880645

IUPAC2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol
SMILESCC(Sc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24OS/c1-19(25-22-15-9-4-10-16-22)23(24,17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,24H,17-18H2,1H3
InChIKeyMZQRTVMVOKZLDK-UHFFFAOYSA-N
MW348.51 g/mol
LogP5.38
Rot. Bonds7

About 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol

2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol (PubChem CID 134880645) has the molecular formula C23H24OS and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol.

Molecular Properties

Compound Name2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol
PubChem CID134880645
Molecular FormulaC23H24OS
Molecular Weight348.51 g/mol
Exact Mass348.15
IUPAC Name2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol
SMILESCC(Sc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24OS/c1-19(25-22-15-9-4-10-16-22)23(24,17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,24H,17-18H2,1H3
InChIKeyMZQRTVMVOKZLDK-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Benzylsulfinyl)-1,1-diphenyl-1-ethanol
CID 2765160
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-(Bis(phenylthio)methyl)cycloheptanol
CID 361771
4-Methyl-2,6-diphenylthian-4-ol
CID 4455365
2-Phenyl-2-phenylthioethanol
CID 11264720
2-[(4-Fluorophenyl)sulfanyl]-1,1-diphenyl-1-ethanol
CID 2765147
2-(Benzenesulfonyl)-2-fluoro-1,1-diphenylethanol
CID 13460269
(E)-5-phenylsulfanyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-ol
CID 102353352
(E)-1-(benzenesulfonyl)-1-fluoro-2,4-diphenylbut-3-en-2-ol
CID 102474227
(E,2S)-5-phenylsulfanyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-ol
CID 134930760
1,1-Diphenyl-4-phenylthiobut-3-en-1-ol
CID 5363672

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol?
The IUPAC name of 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol (CID 134880645) is 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol.
What is the SMILES notation for 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol?
The canonical SMILES for 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol is CC(Sc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol?
The InChIKey is MZQRTVMVOKZLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24OS/c1-19(25-22-15-9-4-10-16-22)23(24,17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,24H,17-18H2,1H3.
What are the key properties of 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol?
2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol has a molecular weight of 348.51 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-phenyl-3-phenylsulfanylbutan-2-ol is sourced from PubChem (CID 134880645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).