(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol

C16H12BrFO3 — CID 105122296

IUPAC(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrFO3/c1-20-13-6-5-10(18)8-11(13)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8,15,19H,1H3
InChIKeyARCWJWFFRNIZHM-UHFFFAOYSA-N
MW351.17 g/mol
LogP4.42
Rot. Bonds3

About (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol

(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol (PubChem CID 105122296) has the molecular formula C16H12BrFO3 and a molecular weight of 351.17 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
PubChem CID105122296
Molecular FormulaC16H12BrFO3
Molecular Weight351.17 g/mol
Exact Mass350.00
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrFO3/c1-20-13-6-5-10(18)8-11(13)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8,15,19H,1H3
InChIKeyARCWJWFFRNIZHM-UHFFFAOYSA-N
XLogP4.42
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105174877
(5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723276
(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087633
(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837557
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125170
1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805523
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
CID 86730397

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol (CID 105122296) is (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol is COc1ccc(F)cc1C(O)c1cc2cccc(Br)c2o1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol?
The InChIKey is ARCWJWFFRNIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO3/c1-20-13-6-5-10(18)8-11(13)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8,15,19H,1H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol?
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol has a molecular weight of 351.17 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol is sourced from PubChem (CID 105122296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).