(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol

C16H12BrFOS — CID 81153432

IUPAC(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2csc3c(Br)cccc23)c1
InChIInChI=1S/C16H12BrFOS/c1-9-5-6-14(18)11(7-9)15(19)12-8-20-16-10(12)3-2-4-13(16)17/h2-8,15,19H,1H3
InChIKeySEVSFDYFGVULML-UHFFFAOYSA-N
MW351.24 g/mol
LogP5.19
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol

(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol (PubChem CID 81153432) has the molecular formula C16H12BrFOS and a molecular weight of 351.24 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
PubChem CID81153432
Molecular FormulaC16H12BrFOS
Molecular Weight351.24 g/mol
Exact Mass349.98
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2csc3c(Br)cccc23)c1
InChIInChI=1S/C16H12BrFOS/c1-9-5-6-14(18)11(7-9)15(19)12-8-20-16-10(12)3-2-4-13(16)17/h2-8,15,19H,1H3
InChIKeySEVSFDYFGVULML-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.24
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
7-bromo-3-[bromo-(2-fluoro-5-methylphenyl)methyl]-1-benzothiophene
CID 81147736
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234
(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
CID 81153735
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 81324957
7-bromo-3-[(2-bromo-5-methylphenyl)-chloromethyl]-1-benzothiophene
CID 81152926
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
(2-bromo-6-fluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 114885762
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol
CID 81128494
(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
CID 81153527
(7-bromo-1-benzothiophen-3-yl)-(2-iodophenyl)methanol
CID 81153133

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol (CID 81153432) is (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol is Cc1ccc(F)c(C(O)c2csc3c(Br)cccc23)c1.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol?
The InChIKey is SEVSFDYFGVULML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFOS/c1-9-5-6-14(18)11(7-9)15(19)12-8-20-16-10(12)3-2-4-13(16)17/h2-8,15,19H,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol has a molecular weight of 351.24 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 81153432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).