3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol

C13H10ClFOS — CID 102846473

IUPAC3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H10ClFOS/c14-12-6-1-3-9(13(12)15)8-17-11-5-2-4-10(16)7-11/h1-7,16H,8H2
InChIKeyQSKIVLIJUPWDQO-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.48
Rot. Bonds3

About 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol

3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol (PubChem CID 102846473) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol
PubChem CID102846473
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H10ClFOS/c14-12-6-1-3-9(13(12)15)8-17-11-5-2-4-10(16)7-11/h1-7,16H,8H2
InChIKeyQSKIVLIJUPWDQO-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol 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

N-[[3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 102861659
N-[[3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 102861663
3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol
CID 146132640
1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 82803396
3-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol
CID 104590024
1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 102857203
3-[(2-amino-3-nitrophenyl)methylsulfanyl]phenol
CID 107352827
[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 107118906
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol
CID 66348940
2-chloro-5-[(3-cyano-2-fluorophenyl)methylsulfanyl]benzoic acid
CID 107114002
3-(cyclopropylmethylsulfanyl)phenol
CID 112623566

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol (CID 102846473) is 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol is Oc1cccc(SCc2cccc(Cl)c2F)c1.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol?
The InChIKey is QSKIVLIJUPWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c14-12-6-1-3-9(13(12)15)8-17-11-5-2-4-10(16)7-11/h1-7,16H,8H2.
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol?
3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol has a molecular weight of 268.74 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol is sourced from PubChem (CID 102846473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).