(2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate

C15H9ClO4 — CID 46944674

IUPAC(2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate
SMILESO=C1Cc2cc(OC(=O)c3cccc(Cl)c3)ccc2O1
InChIInChI=1S/C15H9ClO4/c16-11-3-1-2-9(6-11)15(18)19-12-4-5-13-10(7-12)8-14(17)20-13/h1-7H,8H2
InChIKeySSTJIOSNVDVGCQ-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.02
Rot. Bonds2

About (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate

(2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate (PubChem CID 46944674) has the molecular formula C15H9ClO4 and a molecular weight of 288.69 g/mol. Its IUPAC name is (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate.

Molecular Properties

Compound Name(2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate
PubChem CID46944674
Molecular FormulaC15H9ClO4
Molecular Weight288.69 g/mol
Exact Mass288.02
IUPAC Name(2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate
SMILESO=C1Cc2cc(OC(=O)c3cccc(Cl)c3)ccc2O1
InChIInChI=1S/C15H9ClO4/c16-11-3-1-2-9(6-11)15(18)19-12-4-5-13-10(7-12)8-14(17)20-13/h1-7H,8H2
InChIKeySSTJIOSNVDVGCQ-UHFFFAOYSA-N
XLogP3.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
(2-oxo-3H-1-benzofuran-5-yl) prop-2-enoate
CID 59090463
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789
(4-phenylphenyl) 3-chlorobenzoate
CID 7313882
(4-ethylphenyl) 3-chlorobenzoate
CID 7314075
propan-2-yl 3-(3-chlorobenzoyl)oxybenzoate
CID 17162400
iodo 3-chlorobenzoate
CID 148549555
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
chloro 3-chlorobenzenecarboperoxoate
CID 87849518
benzene;(2-oxo-3,4-dihydrochromen-6-yl) acetate
CID 142101371
propyl 3-(3-chlorobenzoyl)oxybenzoate
CID 17169663

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate?
The IUPAC name of (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate (CID 46944674) is (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate.
What is the SMILES notation for (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate?
The canonical SMILES for (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate is O=C1Cc2cc(OC(=O)c3cccc(Cl)c3)ccc2O1.
What is the InChIKey of (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate?
The InChIKey is SSTJIOSNVDVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO4/c16-11-3-1-2-9(6-11)15(18)19-12-4-5-13-10(7-12)8-14(17)20-13/h1-7H,8H2.
What are the key properties of (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate?
(2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate has a molecular weight of 288.69 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate is sourced from PubChem (CID 46944674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).