(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol

C13H11ClF2O2S — CID 103404237

IUPAC(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2scc(C)c2Cl)c(F)c1
InChIInChI=1S/C13H11ClF2O2S/c1-6-5-19-13(11(6)14)12(17)10-8(15)3-7(18-2)4-9(10)16/h3-5,12,17H,1-2H3
InChIKeyCPOGPVKQQUGOQR-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.08
Rot. Bonds3

About (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol

(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol (PubChem CID 103404237) has the molecular formula C13H11ClF2O2S and a molecular weight of 304.75 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
PubChem CID103404237
Molecular FormulaC13H11ClF2O2S
Molecular Weight304.75 g/mol
Exact Mass304.01
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2scc(C)c2Cl)c(F)c1
InChIInChI=1S/C13H11ClF2O2S/c1-6-5-19-13(11(6)14)12(17)10-8(15)3-7(18-2)4-9(10)16/h3-5,12,17H,1-2H3
InChIKeyCPOGPVKQQUGOQR-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo-(2,6-difluoro-4-methoxyphenyl)methyl]-3-chloro-4-methylthiophene
CID 103404628
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
CID 103408157
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103400975
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473
(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103404478
(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol
CID 103404367
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099448
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 103407834
(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61101677
(2,6-difluoro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61099270
1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol
CID 103408273
1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 103405659

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol (CID 103404237) is (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol is COc1cc(F)c(C(O)c2scc(C)c2Cl)c(F)c1.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The InChIKey is CPOGPVKQQUGOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2O2S/c1-6-5-19-13(11(6)14)12(17)10-8(15)3-7(18-2)4-9(10)16/h3-5,12,17H,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol has a molecular weight of 304.75 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 103404237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).