[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol

C14H12ClFOS — CID 66348940

IUPAC[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol
SMILESOCc1cccc(SCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H12ClFOS/c15-14-7-12(16)5-4-11(14)9-18-13-3-1-2-10(6-13)8-17/h1-7,17H,8-9H2
InChIKeyGFZJGPKFYLXAAE-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.26
Rot. Bonds4

About [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol

[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol (PubChem CID 66348940) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol
PubChem CID66348940
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol
SMILESOCc1cccc(SCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H12ClFOS/c15-14-7-12(16)5-4-11(14)9-18-13-3-1-2-10(6-13)8-17/h1-7,17H,8-9H2
InChIKeyGFZJGPKFYLXAAE-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol 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

1-[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]ethanamine
CID 64661930
[3-[(4-chloro-2-nitrophenyl)methylsulfanyl]phenyl]methanol
CID 66347983
3-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzenecarboximidamide
CID 102668596
[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
CID 113371994
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
N-[[3-[(2-bromo-4-fluorophenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66347846
2-fluoro-5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]benzonitrile
CID 107887986
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
[3-(hydroxymethyl)phenyl] thiohypochlorite
CID 87965479
N-[[3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 102861659
1-chloro-3-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91655656
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
CID 65142299

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol (CID 66348940) is [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol is OCc1cccc(SCc2ccc(F)cc2Cl)c1.
What is the InChIKey of [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol?
The InChIKey is GFZJGPKFYLXAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c15-14-7-12(16)5-4-11(14)9-18-13-3-1-2-10(6-13)8-17/h1-7,17H,8-9H2.
What are the key properties of [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol?
[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol has a molecular weight of 282.77 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 66348940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).