(2-bromophenyl) 1-benzofuran-2-carboxylate

C15H9BrO3 — CID 17391637

IUPAC(2-bromophenyl) 1-benzofuran-2-carboxylate
SMILESO=C(Oc1ccccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C15H9BrO3/c16-11-6-2-4-8-13(11)19-15(17)14-9-10-5-1-3-7-12(10)18-14/h1-9H
InChIKeyDHQVPGCORJLAHV-UHFFFAOYSA-N
MW317.14 g/mol
LogP4.41
Rot. Bonds2

About (2-bromophenyl) 1-benzofuran-2-carboxylate

(2-bromophenyl) 1-benzofuran-2-carboxylate (PubChem CID 17391637) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is (2-bromophenyl) 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl) 1-benzofuran-2-carboxylate
PubChem CID17391637
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name(2-bromophenyl) 1-benzofuran-2-carboxylate
SMILESO=C(Oc1ccccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C15H9BrO3/c16-11-6-2-4-8-13(11)19-15(17)14-9-10-5-1-3-7-12(10)18-14/h1-9H
InChIKeyDHQVPGCORJLAHV-UHFFFAOYSA-N
XLogP4.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 1-benzofuran-2-carboxylate
CID 95398333
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
(4-iodophenyl) 1-benzofuran-2-carboxylate
CID 1220129
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
(2-tert-butylphenyl) 5-bromo-1-benzofuran-2-carboxylate
CID 19225464
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium
CID 3408102
CID 171632715
CID 171632715
benzhydryl 1-benzofuran-2-carboxylate
CID 7210554
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4239088
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
CID 114885395

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl) 1-benzofuran-2-carboxylate?
The IUPAC name of (2-bromophenyl) 1-benzofuran-2-carboxylate (CID 17391637) is (2-bromophenyl) 1-benzofuran-2-carboxylate.
What is the SMILES notation for (2-bromophenyl) 1-benzofuran-2-carboxylate?
The canonical SMILES for (2-bromophenyl) 1-benzofuran-2-carboxylate is O=C(Oc1ccccc1Br)c1cc2ccccc2o1.
What is the InChIKey of (2-bromophenyl) 1-benzofuran-2-carboxylate?
The InChIKey is DHQVPGCORJLAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO3/c16-11-6-2-4-8-13(11)19-15(17)14-9-10-5-1-3-7-12(10)18-14/h1-9H.
What are the key properties of (2-bromophenyl) 1-benzofuran-2-carboxylate?
(2-bromophenyl) 1-benzofuran-2-carboxylate has a molecular weight of 317.14 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl) 1-benzofuran-2-carboxylate is sourced from PubChem (CID 17391637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).