(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone

C15H9BrO3 — CID 137124147

IUPAC(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1c(O)oc2ccccc12
InChIInChI=1S/C15H9BrO3/c16-10-7-5-9(6-8-10)14(17)13-11-3-1-2-4-12(11)19-15(13)18/h1-8,18H
InChIKeyWEDQUKPXRRHHIL-UHFFFAOYSA-N
MW317.14 g/mol
LogP4.13
Rot. Bonds2

About (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone

(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone (PubChem CID 137124147) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone
PubChem CID137124147
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1c(O)oc2ccccc12
InChIInChI=1S/C15H9BrO3/c16-10-7-5-9(6-8-10)14(17)13-11-3-1-2-4-12(11)19-15(13)18/h1-8,18H
InChIKeyWEDQUKPXRRHHIL-UHFFFAOYSA-N
XLogP4.13
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone
CID 172732812
(4-bromophenyl)-(3-dibenzofuran-4-ylphenyl)methanone
CID 66669293
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
CID 19777087
(2-hydroxy-6-isocyano-1-benzofuran-3-yl)-phenylmethanone
CID 23545391
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
CID 4281017
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone
CID 139050398
(4-bromophenyl)-(2-hydroxy-[1,3]oxazolo[3,2-a]pyridin-4-ium-3-yl)methanone
CID 30116029
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
1-benzofuran-2,3-diol
CID 22994886

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone (CID 137124147) is (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone is O=C(c1ccc(Br)cc1)c1c(O)oc2ccccc12.
What is the InChIKey of (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone?
The InChIKey is WEDQUKPXRRHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO3/c16-10-7-5-9(6-8-10)14(17)13-11-3-1-2-4-12(11)19-15(13)18/h1-8,18H.
What are the key properties of (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone?
(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone has a molecular weight of 317.14 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 137124147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).