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

C10H10O3 — CID 130045390

IUPACmethyl 2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1cccc2c1CCO2
InChIInChI=1S/C10H10O3/c1-12-10(11)8-3-2-4-9-7(8)5-6-13-9/h2-4H,5-6H2,1H3
InChIKeyYCPONHODNNTFEC-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.41
Rot. Bonds1

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

methyl 2,3-dihydro-1-benzofuran-4-carboxylate (PubChem CID 130045390) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl 2,3-dihydro-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1-benzofuran-4-carboxylate
PubChem CID130045390
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Namemethyl 2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1cccc2c1CCO2
InChIInChI=1S/C10H10O3/c1-12-10(11)8-3-2-4-9-7(8)5-6-13-9/h2-4H,5-6H2,1H3
InChIKeyYCPONHODNNTFEC-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 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

ethyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 141207282
methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
CID 10081776
methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate
CID 14373655
methyl 2-methoxy-2,3,4,5-tetrahydro-1-benzoxepine-6-carboxylate
CID 143813730
methyl 2,3,4,5-tetrahydro-1,5-benzoxazepine-6-carboxylate
CID 115098661
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508
methyl 9H-xanthene-1-carboxylate
CID 66809757
methyl 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]benzoate
CID 11481668
methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
CID 19028093
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1-benzofuran-4-carboxylate?
The IUPAC name of methyl 2,3-dihydro-1-benzofuran-4-carboxylate (CID 130045390) is methyl 2,3-dihydro-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl 2,3-dihydro-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl 2,3-dihydro-1-benzofuran-4-carboxylate is COC(=O)c1cccc2c1CCO2.
What is the InChIKey of methyl 2,3-dihydro-1-benzofuran-4-carboxylate?
The InChIKey is YCPONHODNNTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-12-10(11)8-3-2-4-9-7(8)5-6-13-9/h2-4H,5-6H2,1H3.
What are the key properties of methyl 2,3-dihydro-1-benzofuran-4-carboxylate?
methyl 2,3-dihydro-1-benzofuran-4-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydro-1-benzofuran-4-carboxylate is sourced from PubChem (CID 130045390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).