(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol

C12H10ClFO2S — CID 80530151

IUPAC(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2sccc2Cl)cc1F
InChIInChI=1S/C12H10ClFO2S/c1-16-10-3-2-7(6-9(10)14)11(15)12-8(13)4-5-17-12/h2-6,11,15H,1H3
InChIKeyVSWIWXHRAAQPLL-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.63
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol

(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol (PubChem CID 80530151) has the molecular formula C12H10ClFO2S and a molecular weight of 272.73 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol
PubChem CID80530151
Molecular FormulaC12H10ClFO2S
Molecular Weight272.73 g/mol
Exact Mass272.01
IUPAC Name(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2sccc2Cl)cc1F
InChIInChI=1S/C12H10ClFO2S/c1-16-10-3-2-7(6-9(10)14)11(15)12-8(13)4-5-17-12/h2-6,11,15H,1H3
InChIKeyVSWIWXHRAAQPLL-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)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

(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099686
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 80529656
(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
CID 113472302
(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
CID 80530245
[(3-fluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105304059
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol (CID 80530151) is (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2sccc2Cl)cc1F.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol?
The InChIKey is VSWIWXHRAAQPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO2S/c1-16-10-3-2-7(6-9(10)14)11(15)12-8(13)4-5-17-12/h2-6,11,15H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol?
(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol has a molecular weight of 272.73 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 80530151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).