(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one

C18H16O2 — CID 18823789

IUPAC(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESCc1ccc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1
InChIInChI=1S/C18H16O2/c1-11-4-6-14(7-5-11)10-17-18(19)15-8-12(2)13(3)9-16(15)20-17/h4-10H,1-3H3/b17-10-
InChIKeyCOPOGIIDGGQEAF-YVLHZVERSA-N
MW264.32 g/mol
LogP4.23
Rot. Bonds1

About (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one

(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 18823789) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID18823789
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESCc1ccc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1
InChIInChI=1S/C18H16O2/c1-11-4-6-14(7-5-11)10-17-18(19)15-8-12(2)13(3)9-16(15)20-17/h4-10H,1-3H3/b17-10-
InChIKeyCOPOGIIDGGQEAF-YVLHZVERSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.23
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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Related Compounds

(2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823524
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-1-benzofuran-3-one
CID 18823534
2-benzylidene-6-hydroxy-5-(4-methylphenyl)-1-benzofuran-3-one
CID 141411814
(2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one
CID 44850299
4-[(Z)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]benzonitrile
CID 157475625
(2E)-5-methyl-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 91988248
(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 47241499
(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one
CID 18823848
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methoxy-5-methyl-1-benzofuran-3-one
CID 135053016
methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 157455661
2-[(4-methylphenyl)methylidene]-6-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-benzofuran-3-one
CID 5266063
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methylphenyl)methoxy]-1-benzofuran-3-one
CID 2021193

Frequently Asked Questions

What is the IUPAC name of (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one (CID 18823789) is (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one is Cc1ccc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1.
What is the InChIKey of (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is COPOGIIDGGQEAF-YVLHZVERSA-N. The full InChI is InChI=1S/C18H16O2/c1-11-4-6-14(7-5-11)10-17-18(19)15-8-12(2)13(3)9-16(15)20-17/h4-10H,1-3H3/b17-10-.
What are the key properties of (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 264.32 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 18823789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).