(2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one

C18H15ClO2 — CID 44850299

IUPAC(2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one
SMILESCCc1ccc(/C=C2\Oc3cc(C)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C18H15ClO2/c1-3-12-4-6-13(7-5-12)9-17-18(20)14-10-15(19)11(2)8-16(14)21-17/h4-10H,3H2,1-2H3/b17-9-
InChIKeyXEFNPGMXYRGTBH-MFOYZWKCSA-N
MW298.77 g/mol
LogP4.83
Rot. Bonds2

About (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one

(2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one (PubChem CID 44850299) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one
PubChem CID44850299
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name(2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one
SMILESCCc1ccc(/C=C2\Oc3cc(C)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C18H15ClO2/c1-3-12-4-6-13(7-5-12)9-17-18(20)14-10-15(19)11(2)8-16(14)21-17/h4-10H,3H2,1-2H3/b17-9-
InChIKeyXEFNPGMXYRGTBH-MFOYZWKCSA-N
XLogP4.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.83
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)-5-bromo-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 18823422
(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 18823789
6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 4244641
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methylphenyl)methoxy]-1-benzofuran-3-one
CID 2021193
6-[(2,5-dimethylphenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 3323511
[(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
CID 908459
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2007737
(2Z)-5-chloro-2-[[4-(diethylamino)phenyl]methylidene]-1-benzofuran-3-one
CID 18823474
[2-[(4-ethylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate
CID 4684208
(2Z)-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one;heptadeca-1,3,5,7,9,11,13,15-octayne;molecular hydrogen;molecular oxygen
CID 159223676
6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 3764476

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one?
The IUPAC name of (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one (CID 44850299) is (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one?
The canonical SMILES for (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one is CCc1ccc(/C=C2\Oc3cc(C)c(Cl)cc3C2=O)cc1.
What is the InChIKey of (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one?
The InChIKey is XEFNPGMXYRGTBH-MFOYZWKCSA-N. The full InChI is InChI=1S/C18H15ClO2/c1-3-12-4-6-13(7-5-12)9-17-18(20)14-10-15(19)11(2)8-16(14)21-17/h4-10H,3H2,1-2H3/b17-9-.
What are the key properties of (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one?
(2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one has a molecular weight of 298.77 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-chloro-2-[(4-ethylphenyl)methylidene]-6-methyl-1-benzofuran-3-one is sourced from PubChem (CID 44850299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).