(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate

C17H14O4 — CID 8778402

IUPAC(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccccc1OC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C17H14O4/c1-11-12-7-3-4-8-13(12)20-16(11)17(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3
InChIKeyQUDDEWRUXKNLCR-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.97
Rot. Bonds3

About (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate

(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8778402) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate
PubChem CID8778402
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccccc1OC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C17H14O4/c1-11-12-7-3-4-8-13(12)20-16(11)17(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3
InChIKeyQUDDEWRUXKNLCR-UHFFFAOYSA-N
XLogP3.97
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.97
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

(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
(3,5-dimethylphenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 7961129
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
(4-chlorophenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 7900850
[4-(2-methoxy-2-oxoethyl)phenyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8868141
(4-bromo-2-fluorophenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 7924585
(2-bromo-4-chlorophenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 7924282
(3-oxocyclohexen-1-yl) 3-methyl-1-benzofuran-2-carboxylate
CID 175305783
[(2R)-1-amino-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7624918
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 8739063

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate (CID 8778402) is (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate is COc1ccccc1OC(=O)c1oc2ccccc2c1C.
What is the InChIKey of (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is QUDDEWRUXKNLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-11-12-7-3-4-8-13(12)20-16(11)17(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3.
What are the key properties of (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate?
(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8778402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).