ethyl 2,3-dihydro-1-benzofuran-4-carboxylate

C11H12O3 — CID 141207282

IUPACethyl 2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCCOC(=O)c1cccc2c1CCO2
InChIInChI=1S/C11H12O3/c1-2-13-11(12)9-4-3-5-10-8(9)6-7-14-10/h3-5H,2,6-7H2,1H3
InChIKeyMAYSTFKVUKRJKJ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.80
Rot. Bonds2

About ethyl 2,3-dihydro-1-benzofuran-4-carboxylate

ethyl 2,3-dihydro-1-benzofuran-4-carboxylate (PubChem CID 141207282) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethyl 2,3-dihydro-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydro-1-benzofuran-4-carboxylate
PubChem CID141207282
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameethyl 2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCCOC(=O)c1cccc2c1CCO2
InChIInChI=1S/C11H12O3/c1-2-13-11(12)9-4-3-5-10-8(9)6-7-14-10/h3-5H,2,6-7H2,1H3
InChIKeyMAYSTFKVUKRJKJ-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2,3-dihydro-1-benzofuran-4-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

methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate
CID 57058386
ethyl 9H-xanthene-1-carboxylate
CID 53405461
diethyl benzene-1,2-dicarboxylate;oxolan-2-one
CID 161111300
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
ethyl 2,2-dideuterio-1,3-benzodioxole-4-carboxylate
CID 176849330
propyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
CID 43614674
ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
CID 18769105
ethyl 2-oxo-1,4-dihydro-3,1-benzoxazine-5-carboxylate
CID 170904993
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2-oxoacetate
CID 117378467
ethyl 3-amino-2-fluorobenzoate
CID 46311258

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydro-1-benzofuran-4-carboxylate?
The IUPAC name of ethyl 2,3-dihydro-1-benzofuran-4-carboxylate (CID 141207282) is ethyl 2,3-dihydro-1-benzofuran-4-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydro-1-benzofuran-4-carboxylate?
The canonical SMILES for ethyl 2,3-dihydro-1-benzofuran-4-carboxylate is CCOC(=O)c1cccc2c1CCO2.
What is the InChIKey of ethyl 2,3-dihydro-1-benzofuran-4-carboxylate?
The InChIKey is MAYSTFKVUKRJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-13-11(12)9-4-3-5-10-8(9)6-7-14-10/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl 2,3-dihydro-1-benzofuran-4-carboxylate?
ethyl 2,3-dihydro-1-benzofuran-4-carboxylate has a molecular weight of 192.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydro-1-benzofuran-4-carboxylate is sourced from PubChem (CID 141207282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).