1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol

C22H20Cl2OS — CID 22049852

IUPAC1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol
SMILESOC(CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C22H20Cl2OS/c23-19-10-6-17(7-11-19)22(18-8-12-20(24)13-9-18)26-15-21(25)14-16-4-2-1-3-5-16/h1-13,21-22,25H,14-15H2
InChIKeyIHLUMZMDUXSSMG-UHFFFAOYSA-N
MW403.37 g/mol
LogP6.42
Rot. Bonds7

About 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol

1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol (PubChem CID 22049852) has the molecular formula C22H20Cl2OS and a molecular weight of 403.37 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol
PubChem CID22049852
Molecular FormulaC22H20Cl2OS
Molecular Weight403.37 g/mol
Exact Mass402.06
IUPAC Name1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol
SMILESOC(CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C22H20Cl2OS/c23-19-10-6-17(7-11-19)22(18-8-12-20(24)13-9-18)26-15-21(25)14-16-4-2-1-3-5-16/h1-13,21-22,25H,14-15H2
InChIKeyIHLUMZMDUXSSMG-UHFFFAOYSA-N
XLogP6.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.37
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
(3S,6R)-1-(4-chlorophenyl)-2,3,6,7-tetrahydroxy-8-phenyloctane-4,5-dione
CID 90985190
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
CID 66154688
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1,6-diphenylhexane-2,5-diol
CID 15072586
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-[bis(4-chlorophenyl)methylsulfanyl]propan-2-one
CID 22049857
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol?
The IUPAC name of 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol (CID 22049852) is 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol is OC(CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)Cc1ccccc1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol?
The InChIKey is IHLUMZMDUXSSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2OS/c23-19-10-6-17(7-11-19)22(18-8-12-20(24)13-9-18)26-15-21(25)14-16-4-2-1-3-5-16/h1-13,21-22,25H,14-15H2.
What are the key properties of 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol?
1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol has a molecular weight of 403.37 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol is sourced from PubChem (CID 22049852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).