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

C11H12O3 — CID 3016413

IUPACethyl 2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C11H12O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-6,10H,2,7H2,1H3
InChIKeyUXWAUYCFFCPXGC-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.55
Rot. Bonds2

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

ethyl 2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 3016413) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethyl 2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID3016413
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameethyl 2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C11H12O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-6,10H,2,7H2,1H3
InChIKeyUXWAUYCFFCPXGC-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 2,3-dihydro-1-benzofuran-2-carboxylate (CID 3016413) is ethyl 2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 2,3-dihydro-1-benzofuran-2-carboxylate is CCOC(=O)C1Cc2ccccc2O1.
What is the InChIKey of ethyl 2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is UXWAUYCFFCPXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-6,10H,2,7H2,1H3.
What are the key properties of ethyl 2,3-dihydro-1-benzofuran-2-carboxylate?
ethyl 2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 192.21 g/mol, XLogP of 1.55, 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-2-carboxylate is sourced from PubChem (CID 3016413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).