(4-methoxyphenyl) 1-benzofuran-2-carboxylate

C16H12O4 — CID 659898

IUPAC(4-methoxyphenyl) 1-benzofuran-2-carboxylate
SMILESCOc1ccc(OC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C16H12O4/c1-18-12-6-8-13(9-7-12)19-16(17)15-10-11-4-2-3-5-14(11)20-15/h2-10H,1H3
InChIKeyIYFYVRZWHQFEKZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.66
Rot. Bonds3

About (4-methoxyphenyl) 1-benzofuran-2-carboxylate

(4-methoxyphenyl) 1-benzofuran-2-carboxylate (PubChem CID 659898) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (4-methoxyphenyl) 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 1-benzofuran-2-carboxylate
PubChem CID659898
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(4-methoxyphenyl) 1-benzofuran-2-carboxylate
SMILESCOc1ccc(OC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C16H12O4/c1-18-12-6-8-13(9-7-12)19-16(17)15-10-11-4-2-3-5-14(11)20-15/h2-10H,1H3
InChIKeyIYFYVRZWHQFEKZ-UHFFFAOYSA-N
XLogP3.66
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.66
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

[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
(4-iodophenyl) 1-benzofuran-2-carboxylate
CID 1220129
dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
CID 8018328
[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 7750186
[1-benzofuran-2-yl(methoxy)methylidene]chromium
CID 134878936
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 33186848
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193774
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-benzofuran-2-carboxylate
CID 7194143
N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide
CID 3055567

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 1-benzofuran-2-carboxylate?
The IUPAC name of (4-methoxyphenyl) 1-benzofuran-2-carboxylate (CID 659898) is (4-methoxyphenyl) 1-benzofuran-2-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 1-benzofuran-2-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 1-benzofuran-2-carboxylate is COc1ccc(OC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of (4-methoxyphenyl) 1-benzofuran-2-carboxylate?
The InChIKey is IYFYVRZWHQFEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-18-12-6-8-13(9-7-12)19-16(17)15-10-11-4-2-3-5-14(11)20-15/h2-10H,1H3.
What are the key properties of (4-methoxyphenyl) 1-benzofuran-2-carboxylate?
(4-methoxyphenyl) 1-benzofuran-2-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 1-benzofuran-2-carboxylate is sourced from PubChem (CID 659898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).