(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol

C12H10ClFOS — CID 81461208

IUPAC(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1cccc(F)c1Cl
InChIInChI=1S/C12H10ClFOS/c1-7-5-6-16-12(7)11(15)8-3-2-4-9(14)10(8)13/h2-6,11,15H,1H3
InChIKeyFLZUKCGBRVVJJV-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.93
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol

(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 81461208) has the molecular formula C12H10ClFOS and a molecular weight of 256.73 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol
PubChem CID81461208
Molecular FormulaC12H10ClFOS
Molecular Weight256.73 g/mol
Exact Mass256.01
IUPAC Name(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1cccc(F)c1Cl
InChIInChI=1S/C12H10ClFOS/c1-7-5-6-16-12(7)11(15)8-3-2-4-9(14)10(8)13/h2-6,11,15H,1H3
InChIKeyFLZUKCGBRVVJJV-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 82773068
(2-chloro-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516247
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807096
(2-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879528
(2-aminophenyl)-(3-methylthiophen-2-yl)methanol
CID 79987439
(2-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130732
(3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63893911
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208
(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 79988148
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 79747205
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol (CID 81461208) is (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is FLZUKCGBRVVJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFOS/c1-7-5-6-16-12(7)11(15)8-3-2-4-9(14)10(8)13/h2-6,11,15H,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol?
(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 256.73 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 81461208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).