(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol

C15H9BrCl2O2 — CID 115836547

IUPAC(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H9BrCl2O2/c16-11-3-1-2-10(14(11)18)15(19)13-7-8-6-9(17)4-5-12(8)20-13/h1-7,15,19H
InChIKeyBAEMRDMHWNXIDD-UHFFFAOYSA-N
MW372.05 g/mol
LogP5.58
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol

(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol (PubChem CID 115836547) has the molecular formula C15H9BrCl2O2 and a molecular weight of 372.05 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol
PubChem CID115836547
Molecular FormulaC15H9BrCl2O2
Molecular Weight372.05 g/mol
Exact Mass369.92
IUPAC Name(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H9BrCl2O2/c16-11-3-1-2-10(14(11)18)15(19)13-7-8-6-9(17)4-5-12(8)20-13/h1-7,15,19H
InChIKeyBAEMRDMHWNXIDD-UHFFFAOYSA-N
XLogP5.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.05
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 114724178
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
1-(3-bromo-2-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107953734
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114724822
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114723297
(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 103129244
(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 105022461
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol (CID 115836547) is (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol is OC(c1cc2cc(Cl)ccc2o1)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol?
The InChIKey is BAEMRDMHWNXIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2O2/c16-11-3-1-2-10(14(11)18)15(19)13-7-8-6-9(17)4-5-12(8)20-13/h1-7,15,19H.
What are the key properties of (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol?
(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol has a molecular weight of 372.05 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115836547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).