(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate

C16H14O4 — CID 47160994

IUPAC(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOc1ccccc1OC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14O4/c1-18-14-4-2-3-5-15(14)20-16(17)12-6-7-13-11(10-12)8-9-19-13/h2-7,10H,8-9H2,1H3
InChIKeyCUQQFUKBEJFLPC-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.85
Rot. Bonds3

About (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate

(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate (PubChem CID 47160994) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
PubChem CID47160994
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOc1ccccc1OC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14O4/c1-18-14-4-2-3-5-15(14)20-16(17)12-6-7-13-11(10-12)8-9-19-13/h2-7,10H,8-9H2,1H3
InChIKeyCUQQFUKBEJFLPC-UHFFFAOYSA-N
XLogP2.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.85
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

phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719
2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 65434765
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyphenyl)sulfanylethanone
CID 60593538
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814974
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 56744558
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one
CID 141068958
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate?
The IUPAC name of (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate (CID 47160994) is (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate is COc1ccccc1OC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate?
The InChIKey is CUQQFUKBEJFLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-18-14-4-2-3-5-15(14)20-16(17)12-6-7-13-11(10-12)8-9-19-13/h2-7,10H,8-9H2,1H3.
What are the key properties of (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate?
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate is sourced from PubChem (CID 47160994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).