(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol

C13H12ClFOS — CID 102764444

IUPAC(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(C)c(Cl)s2)ccc1F
InChIInChI=1S/C13H12ClFOS/c1-7-5-9(3-4-10(7)15)12(16)11-6-8(2)13(14)17-11/h3-6,12,16H,1-2H3
InChIKeyAPGCVEVJDVZEJO-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.24
Rot. Bonds2

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

(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 102764444) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID102764444
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(C)c(Cl)s2)ccc1F
InChIInChI=1S/C13H12ClFOS/c1-7-5-9(3-4-10(7)15)12(16)11-6-8(2)13(14)17-11/h3-6,12,16H,1-2H3
InChIKeyAPGCVEVJDVZEJO-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.24
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
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
CID 102764365
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(4-fluoro-3-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 79747225
(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 107130699
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 97001534

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol (CID 102764444) is (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)c2cc(C)c(Cl)s2)ccc1F.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is APGCVEVJDVZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c1-7-5-9(3-4-10(7)15)12(16)11-6-8(2)13(14)17-11/h3-6,12,16H,1-2H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol?
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 270.76 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 102764444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).