2,3-dihydro-1-benzofuran-6-yl benzoate

C15H12O3 — CID 90777850

IUPAC2,3-dihydro-1-benzofuran-6-yl benzoate
SMILESO=C(Oc1ccc2c(c1)OCC2)c1ccccc1
InChIInChI=1S/C15H12O3/c16-15(12-4-2-1-3-5-12)18-13-7-6-11-8-9-17-14(11)10-13/h1-7,10H,8-9H2
InChIKeyPAWKGBLTGSORSJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.84
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-6-yl benzoate

2,3-dihydro-1-benzofuran-6-yl benzoate (PubChem CID 90777850) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-6-yl benzoate.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-6-yl benzoate
PubChem CID90777850
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2,3-dihydro-1-benzofuran-6-yl benzoate
SMILESO=C(Oc1ccc2c(c1)OCC2)c1ccccc1
InChIInChI=1S/C15H12O3/c16-15(12-4-2-1-3-5-12)18-13-7-6-11-8-9-17-14(11)10-13/h1-7,10H,8-9H2
InChIKeyPAWKGBLTGSORSJ-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 2,3-dihydro-1-benzofuran-6-yl benzoate 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

phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719
2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl benzoate;hydrochloride
CID 86647851
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran
CID 177206683
(6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate
CID 143295308
[4-(2-fluoroethyl)-2,3-dihydro-1,4-benzoxazin-6-yl] benzoate
CID 118130711
1,3-benzodioxol-5-yl 3-phenoxybenzoate
CID 4565190
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
(2-benzylidene-3-oxo-1-benzofuran-6-yl) benzoate
CID 4272107
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
4-(3,4-dihydro-2H-chromen-7-ylperoxyperoxy)benzoic acid
CID 141414839

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-6-yl benzoate?
The IUPAC name of 2,3-dihydro-1-benzofuran-6-yl benzoate (CID 90777850) is 2,3-dihydro-1-benzofuran-6-yl benzoate.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-6-yl benzoate?
The canonical SMILES for 2,3-dihydro-1-benzofuran-6-yl benzoate is O=C(Oc1ccc2c(c1)OCC2)c1ccccc1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-6-yl benzoate?
The InChIKey is PAWKGBLTGSORSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(12-4-2-1-3-5-12)18-13-7-6-11-8-9-17-14(11)10-13/h1-7,10H,8-9H2.
What are the key properties of 2,3-dihydro-1-benzofuran-6-yl benzoate?
2,3-dihydro-1-benzofuran-6-yl benzoate 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 2,3-dihydro-1-benzofuran-6-yl benzoate is sourced from PubChem (CID 90777850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).