(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol

C12H10BrFOS — CID 79691471

IUPAC(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H10BrFOS/c1-7-4-8(6-9(14)5-7)12(15)10-2-3-11(13)16-10/h2-6,12,15H,1H3
InChIKeyRYRKTEBFZVEVIJ-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.04
Rot. Bonds2

About (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol

(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 79691471) has the molecular formula C12H10BrFOS and a molecular weight of 301.18 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID79691471
Molecular FormulaC12H10BrFOS
Molecular Weight301.18 g/mol
Exact Mass299.96
IUPAC Name(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H10BrFOS/c1-7-4-8(6-9(14)5-7)12(15)10-2-3-11(13)16-10/h2-6,12,15H,1H3
InChIKeyRYRKTEBFZVEVIJ-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691647
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
2-bromo-5-[bromo-(3,5-dimethylphenyl)methyl]thiophene
CID 63444428
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512137
(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823118
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723305
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786
(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61101677

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol (CID 79691471) is (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol is Cc1cc(F)cc(C(O)c2ccc(Br)s2)c1.
What is the InChIKey of (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is RYRKTEBFZVEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFOS/c1-7-4-8(6-9(14)5-7)12(15)10-2-3-11(13)16-10/h2-6,12,15H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol?
(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol has a molecular weight of 301.18 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 79691471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).