(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol

C16H12BrClO2 — CID 3088260

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
SMILESCc1c(C(O)c2ccc(Cl)cc2)oc2ccc(Br)cc12
InChIInChI=1S/C16H12BrClO2/c1-9-13-8-11(17)4-7-14(13)20-16(9)15(19)10-2-5-12(18)6-3-10/h2-8,15,19H,1H3
InChIKeyXFHSQCIHQXMRMG-UHFFFAOYSA-N
MW351.63 g/mol
LogP5.24
Rot. Bonds2

About (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol

(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol (PubChem CID 3088260) has the molecular formula C16H12BrClO2 and a molecular weight of 351.63 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
PubChem CID3088260
Molecular FormulaC16H12BrClO2
Molecular Weight351.63 g/mol
Exact Mass349.97
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
SMILESCc1c(C(O)c2ccc(Cl)cc2)oc2ccc(Br)cc12
InChIInChI=1S/C16H12BrClO2/c1-9-13-8-11(17)4-7-14(13)20-16(9)15(19)10-2-5-12(18)6-3-10/h2-8,15,19H,1H3
InChIKeyXFHSQCIHQXMRMG-UHFFFAOYSA-N
XLogP5.24
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.63
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol
CID 66778775
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 104653863
(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 105079226
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63549669
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
CID 43149723
3-methyl-2,5-di(propan-2-yl)-1-benzofuran
CID 154693825
(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 62072900
4-[amino-(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 62072398
5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran
CID 143831070

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol (CID 3088260) is (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol is Cc1c(C(O)c2ccc(Cl)cc2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol?
The InChIKey is XFHSQCIHQXMRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClO2/c1-9-13-8-11(17)4-7-14(13)20-16(9)15(19)10-2-5-12(18)6-3-10/h2-8,15,19H,1H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol?
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol has a molecular weight of 351.63 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol is sourced from PubChem (CID 3088260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).