(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol

C12H9BrF2O2S — CID 61101677

IUPAC(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2ccc(Br)s2)c(F)c1
InChIInChI=1S/C12H9BrF2O2S/c1-17-6-4-7(14)11(8(15)5-6)12(16)9-2-3-10(13)18-9/h2-5,12,16H,1H3
InChIKeyKSNYMSWDRVSHPE-UHFFFAOYSA-N
MW335.17 g/mol
LogP3.88
Rot. Bonds3

About (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol

(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol (PubChem CID 61101677) has the molecular formula C12H9BrF2O2S and a molecular weight of 335.17 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
PubChem CID61101677
Molecular FormulaC12H9BrF2O2S
Molecular Weight335.17 g/mol
Exact Mass333.95
IUPAC Name(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2ccc(Br)s2)c(F)c1
InChIInChI=1S/C12H9BrF2O2S/c1-17-6-4-7(14)11(8(15)5-6)12(16)9-2-3-10(13)18-9/h2-5,12,16H,1H3
InChIKeyKSNYMSWDRVSHPE-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 106941245
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 61081754
(2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol
CID 61099275
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691471
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 54898292
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153269
(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 103404237
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol (CID 61101677) is (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol is COc1cc(F)c(C(O)c2ccc(Br)s2)c(F)c1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The InChIKey is KSNYMSWDRVSHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2O2S/c1-17-6-4-7(14)11(8(15)5-6)12(16)9-2-3-10(13)18-9/h2-5,12,16H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol?
(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol has a molecular weight of 335.17 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 61101677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).