1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol

C15H15ClOS — CID 114792411

IUPAC1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
SMILESCC(O)c1ccccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9,11,17H,10H2,1H3
InChIKeySFJIDOOHBVFSIW-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.69
Rot. Bonds4

About 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol

1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol (PubChem CID 114792411) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
PubChem CID114792411
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
SMILESCC(O)c1ccccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9,11,17H,10H2,1H3
InChIKeySFJIDOOHBVFSIW-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-benzylsulfanylphenyl)ethanol
CID 63812589
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602
1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712
1-[3-bromo-4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
CID 114792436
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
CID 22925659
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide
CID 168651013
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201946
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
(1S)-1-[2-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855634
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol (CID 114792411) is 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol is CC(O)c1ccccc1SCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol?
The InChIKey is SFJIDOOHBVFSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9,11,17H,10H2,1H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol?
1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol has a molecular weight of 278.80 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 114792411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).