(2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one

C19H11ClO2 — CID 18823473

IUPAC(2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc3ccccc23)Oc2ccc(Cl)cc21
InChIInChI=1S/C19H11ClO2/c20-14-8-9-17-16(11-14)19(21)18(22-17)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H/b18-10-
InChIKeyQTXAPCKWIIXIMZ-ZDLGFXPLSA-N
MW306.75 g/mol
LogP5.11
Rot. Bonds1

About (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one

(2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one (PubChem CID 18823473) has the molecular formula C19H11ClO2 and a molecular weight of 306.75 g/mol. Its IUPAC name is (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
PubChem CID18823473
Molecular FormulaC19H11ClO2
Molecular Weight306.75 g/mol
Exact Mass306.04
IUPAC Name(2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc3ccccc23)Oc2ccc(Cl)cc21
InChIInChI=1S/C19H11ClO2/c20-14-8-9-17-16(11-14)19(21)18(22-17)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H/b18-10-
InChIKeyQTXAPCKWIIXIMZ-ZDLGFXPLSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.75
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one?
The IUPAC name of (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one (CID 18823473) is (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one?
The canonical SMILES for (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one is O=C1/C(=C/c2cccc3ccccc23)Oc2ccc(Cl)cc21.
What is the InChIKey of (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one?
The InChIKey is QTXAPCKWIIXIMZ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C19H11ClO2/c20-14-8-9-17-16(11-14)19(21)18(22-17)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H/b18-10-.
What are the key properties of (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one?
(2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one has a molecular weight of 306.75 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one is sourced from PubChem (CID 18823473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).