(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol

C12H9Cl2FOS — CID 102764385

IUPAC(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(Cl)c2)sc1Cl
InChIInChI=1S/C12H9Cl2FOS/c1-6-4-10(17-12(6)14)11(16)7-2-3-9(15)8(13)5-7/h2-5,11,16H,1H3
InChIKeyGRRNDYLZWUHLBC-UHFFFAOYSA-N
MW291.17 g/mol
LogP4.58
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol

(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol (PubChem CID 102764385) has the molecular formula C12H9Cl2FOS and a molecular weight of 291.17 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
PubChem CID102764385
Molecular FormulaC12H9Cl2FOS
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(Cl)c2)sc1Cl
InChIInChI=1S/C12H9Cl2FOS/c1-6-4-10(17-12(6)14)11(16)7-2-3-9(15)8(13)5-7/h2-5,11,16H,1H3
InChIKeyGRRNDYLZWUHLBC-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 97001534
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
CID 102764365
(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
CID 95011849
(3-chloro-4-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879411
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 107130699
(3-chloro-4-fluorophenyl)-(3,4-dimethyl-1H-pyrrol-2-yl)methanol
CID 114273340
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol?
The IUPAC name of (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol (CID 102764385) is (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol is Cc1cc(C(O)c2ccc(F)c(Cl)c2)sc1Cl.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol?
The InChIKey is GRRNDYLZWUHLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FOS/c1-6-4-10(17-12(6)14)11(16)7-2-3-9(15)8(13)5-7/h2-5,11,16H,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol?
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol has a molecular weight of 291.17 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 102764385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).