(3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one

C19H12O2 — CID 680071

IUPAC(3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C19H12O2/c20-19-17-11-4-3-10-16(17)18(21-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H/b18-12-
InChIKeyJRLHCXITJGWLCS-PDGQHHTCSA-N
MW272.30 g/mol
LogP4.51
Rot. Bonds1

About (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one

(3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one (PubChem CID 680071) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one
PubChem CID680071
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name(3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C19H12O2/c20-19-17-11-4-3-10-16(17)18(21-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H/b18-12-
InChIKeyJRLHCXITJGWLCS-PDGQHHTCSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one (CID 680071) is (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one is O=C1O/C(=C\c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one?
The InChIKey is JRLHCXITJGWLCS-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H12O2/c20-19-17-11-4-3-10-16(17)18(21-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H/b18-12-.
What are the key properties of (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one?
(3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one has a molecular weight of 272.30 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(naphthalen-1-ylmethylidene)-2-benzofuran-1-one is sourced from PubChem (CID 680071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).