(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol

C15H9BrClFO2 — CID 115837557

IUPAC(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(Cl)c2o1)c1cc(F)ccc1Br
InChIInChI=1S/C15H9BrClFO2/c16-11-5-4-9(18)7-10(11)14(19)13-6-8-2-1-3-12(17)15(8)20-13/h1-7,14,19H
InChIKeyCPNSMDCZEGMKIP-UHFFFAOYSA-N
MW355.59 g/mol
LogP5.07
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol

(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol (PubChem CID 115837557) has the molecular formula C15H9BrClFO2 and a molecular weight of 355.59 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
PubChem CID115837557
Molecular FormulaC15H9BrClFO2
Molecular Weight355.59 g/mol
Exact Mass353.95
IUPAC Name(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(Cl)c2o1)c1cc(F)ccc1Br
InChIInChI=1S/C15H9BrClFO2/c16-11-5-4-9(18)7-10(11)14(19)13-6-8-2-1-3-12(17)15(8)20-13/h1-7,14,19H
InChIKeyCPNSMDCZEGMKIP-UHFFFAOYSA-N
XLogP5.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 114723619
(5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723276
(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727209
(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724758
(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107947837

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol?
The IUPAC name of (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol (CID 115837557) is (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol is OC(c1cc2cccc(Cl)c2o1)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol?
The InChIKey is CPNSMDCZEGMKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFO2/c16-11-5-4-9(18)7-10(11)14(19)13-6-8-2-1-3-12(17)15(8)20-13/h1-7,14,19H.
What are the key properties of (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol?
(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol has a molecular weight of 355.59 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115837557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).