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

C12H10ClFOS — CID 97001534

IUPAC(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C12H10ClFOS/c1-7-2-5-11(16-7)12(15)8-3-4-10(14)9(13)6-8/h2-6,12,15H,1H3/t12-/m0/s1
InChIKeyVLOJMBYCNYREQU-LBPRGKRZSA-N
MW256.73 g/mol
LogP3.93
Rot. Bonds2

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

(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol (PubChem CID 97001534) has the molecular formula C12H10ClFOS and a molecular weight of 256.73 g/mol. Its IUPAC name is (S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
PubChem CID97001534
Molecular FormulaC12H10ClFOS
Molecular Weight256.73 g/mol
Exact Mass256.01
IUPAC Name(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C12H10ClFOS/c1-7-2-5-11(16-7)12(15)8-3-4-10(14)9(13)6-8/h2-6,12,15H,1H3/t12-/m0/s1
InChIKeyVLOJMBYCNYREQU-LBPRGKRZSA-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

(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 81284648
(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
CID 95011849
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 105399338
(3-chloro-4-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879411
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol
CID 177133956
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(5-methylthiophen-2-yl)-(5-methylthiophen-3-yl)methanol
CID 65099731
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 40535084

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol (CID 97001534) is (S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol is Cc1ccc([C@@H](O)c2ccc(F)c(Cl)c2)s1.
What is the InChIKey of (S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is VLOJMBYCNYREQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H10ClFOS/c1-7-2-5-11(16-7)12(15)8-3-4-10(14)9(13)6-8/h2-6,12,15H,1H3/t12-/m0/s1.
What are the key properties of (S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol?
(S)-(3-chloro-4-fluorophenyl)-(5-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 (S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 97001534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).