Ethane;(3E)-3-ethylidene-1-benzofuran-2-one

Name: Ethane;(3E)-3-ethylidene-1-benzofuran-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₄O₂ — CID 143284519

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethane;(3E)-3-ethylidene-1-benzofuran-2-one

SMILESC/C=C1/C(=O)Oc2ccccc21.CC

InChIInChI=1S/C10H8O2.C2H6/c1-2-7-8-5-3-4-6-9(8)12-10(7)11;1-2/h2-6H,1H3;1-2H3/b7-2+;

InChIKeyBKYNXFYPVWXQCF-NIBQXPITSA-N

MW190.24 g/mol

LogP3.04

Rot. Bonds

About Ethane;(3E)-3-ethylidene-1-benzofuran-2-one

Ethane;(3E)-3-ethylidene-1-benzofuran-2-one (PubChem CID 143284519) has the molecular formula C₁₂H₁₄O₂ and a molecular weight of 190.24 g/mol. Its IUPAC name is ethane;(3E)-3-ethylidene-1-benzofuran-2-one.

Molecular Properties

Compound Name	Ethane;(3E)-3-ethylidene-1-benzofuran-2-one
PubChem CID	143284519
Molecular Formula	C₁₂H₁₄O₂
Molecular Weight	190.24 g/mol
Exact Mass	190.10
IUPAC Name	ethane;(3E)-3-ethylidene-1-benzofuran-2-one
SMILES	C/C=C1/C(=O)Oc2ccccc21.CC
InChI	InChI=1S/C10H8O2.C2H6/c1-2-7-8-5-3-4-6-9(8)12-10(7)11;1-2/h2-6H,1H3;1-2H3/b7-2+;
InChIKey	BKYNXFYPVWXQCF-NIBQXPITSA-N
XLogP	3.04
TPSA	26.30 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	190.24
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethane;(3E)-3-ethylidene-1-benzofuran-2-one?

The IUPAC name of Ethane;(3E)-3-ethylidene-1-benzofuran-2-one (CID 143284519) is ethane;(3E)-3-ethylidene-1-benzofuran-2-one.

What is the SMILES notation for Ethane;(3E)-3-ethylidene-1-benzofuran-2-one?

The canonical SMILES for Ethane;(3E)-3-ethylidene-1-benzofuran-2-one is C/C=C1/C(=O)Oc2ccccc21.CC.

What is the InChIKey of Ethane;(3E)-3-ethylidene-1-benzofuran-2-one?

The InChIKey is BKYNXFYPVWXQCF-NIBQXPITSA-N. The full InChI is InChI=1S/C10H8O2.C2H6/c1-2-7-8-5-3-4-6-9(8)12-10(7)11;1-2/h2-6H,1H3;1-2H3/b7-2+;.

What are the key properties of Ethane;(3E)-3-ethylidene-1-benzofuran-2-one?

Ethane;(3E)-3-ethylidene-1-benzofuran-2-one has a molecular weight of 190.24 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;(3E)-3-ethylidene-1-benzofuran-2-one is sourced from PubChem (CID 143284519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 143284519 — identifiers, structure, computed properties (public domain)

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