phenyl 2,3-dihydro-1-benzofuran-5-carboxylate

C15H12O3 — CID 2821719

IUPACphenyl 2,3-dihydro-1-benzofuran-5-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12O3/c16-15(18-13-4-2-1-3-5-13)12-6-7-14-11(10-12)8-9-17-14/h1-7,10H,8-9H2
InChIKeyHSIBNTRKQQQUDO-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.84
Rot. Bonds2

About phenyl 2,3-dihydro-1-benzofuran-5-carboxylate

phenyl 2,3-dihydro-1-benzofuran-5-carboxylate (PubChem CID 2821719) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is phenyl 2,3-dihydro-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namephenyl 2,3-dihydro-1-benzofuran-5-carboxylate
PubChem CID2821719
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namephenyl 2,3-dihydro-1-benzofuran-5-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12O3/c16-15(18-13-4-2-1-3-5-13)12-6-7-14-11(10-12)8-9-17-14/h1-7,10H,8-9H2
InChIKeyHSIBNTRKQQQUDO-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl 2,3-dihydro-1-benzofuran-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-6-yl benzoate
CID 90777850
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
CID 110787080
phenyl 3,4-diaminobenzoate
CID 22184045
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-iminoethyl] benzoate
CID 22302430
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
(4-benzamidophenyl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 26665414
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoic acid
CID 116920551
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxo-2-phenylpropanenitrile
CID 60977430

Frequently Asked Questions

What is the IUPAC name of phenyl 2,3-dihydro-1-benzofuran-5-carboxylate?
The IUPAC name of phenyl 2,3-dihydro-1-benzofuran-5-carboxylate (CID 2821719) is phenyl 2,3-dihydro-1-benzofuran-5-carboxylate.
What is the SMILES notation for phenyl 2,3-dihydro-1-benzofuran-5-carboxylate?
The canonical SMILES for phenyl 2,3-dihydro-1-benzofuran-5-carboxylate is O=C(Oc1ccccc1)c1ccc2c(c1)CCO2.
What is the InChIKey of phenyl 2,3-dihydro-1-benzofuran-5-carboxylate?
The InChIKey is HSIBNTRKQQQUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(18-13-4-2-1-3-5-13)12-6-7-14-11(10-12)8-9-17-14/h1-7,10H,8-9H2.
What are the key properties of phenyl 2,3-dihydro-1-benzofuran-5-carboxylate?
phenyl 2,3-dihydro-1-benzofuran-5-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2,3-dihydro-1-benzofuran-5-carboxylate is sourced from PubChem (CID 2821719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).