(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol

C16H12BrFO2 — CID 115836356

IUPAC(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3ccc(F)cc3Br)cc2c1
InChIInChI=1S/C16H12BrFO2/c1-9-2-5-14-10(6-9)7-15(20-14)16(19)12-4-3-11(18)8-13(12)17/h2-8,16,19H,1H3
InChIKeyKDIWQAXPPNXUSL-UHFFFAOYSA-N
MW335.17 g/mol
LogP4.72
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol

(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 115836356) has the molecular formula C16H12BrFO2 and a molecular weight of 335.17 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID115836356
Molecular FormulaC16H12BrFO2
Molecular Weight335.17 g/mol
Exact Mass334.00
IUPAC Name(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3ccc(F)cc3Br)cc2c1
InChIInChI=1S/C16H12BrFO2/c1-9-2-5-14-10(6-9)7-15(20-14)16(19)12-4-3-11(18)8-13(12)17/h2-8,16,19H,1H3
InChIKeyKDIWQAXPPNXUSL-UHFFFAOYSA-N
XLogP4.72
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723341
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 102829575
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 115836356) is (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)c3ccc(F)cc3Br)cc2c1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is KDIWQAXPPNXUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO2/c1-9-2-5-14-10(6-9)7-15(20-14)16(19)12-4-3-11(18)8-13(12)17/h2-8,16,19H,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 335.17 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115836356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).