(3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one

C16H10Cl2O2 — CID 15959103

IUPAC(3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one
SMILESCc1ccc2c(c1)/C(=C/c1ccc(Cl)c(Cl)c1)OC2=O
InChIInChI=1S/C16H10Cl2O2/c1-9-2-4-11-12(6-9)15(20-16(11)19)8-10-3-5-13(17)14(18)7-10/h2-8H,1H3/b15-8-
InChIKeyMUWUZTHECLKUHC-NVNXTCNLSA-N
MW305.16 g/mol
LogP4.97
Rot. Bonds1

About (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one

(3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one (PubChem CID 15959103) has the molecular formula C16H10Cl2O2 and a molecular weight of 305.16 g/mol. Its IUPAC name is (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one
PubChem CID15959103
Molecular FormulaC16H10Cl2O2
Molecular Weight305.16 g/mol
Exact Mass304.01
IUPAC Name(3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one
SMILESCc1ccc2c(c1)/C(=C/c1ccc(Cl)c(Cl)c1)OC2=O
InChIInChI=1S/C16H10Cl2O2/c1-9-2-4-11-12(6-9)15(20-16(11)19)8-10-3-5-13(17)14(18)7-10/h2-8H,1H3/b15-8-
InChIKeyMUWUZTHECLKUHC-NVNXTCNLSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzylidene-5-chloro-2-benzofuran-1-one
CID 156772309
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 2266702
5-chloro-3-(pyridin-3-ylmethylidene)-2-benzofuran-1-one
CID 54459068
3-[(2-methyl-4-pyridinyl)methylidene]-2-benzofuran-1-one
CID 85442188
cyclohexane;5-methyl-2-benzofuran-1,3-dione
CID 88623758
ethyl (2Z)-2-(6-methyl-3-oxo-2-benzofuran-1-ylidene)acetate
CID 125464108
[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate
CID 6177668
3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one
CID 85442187
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
4-[(3,4-dichlorophenyl)methylidene]-2-(2-iodophenyl)-1,3-oxazol-5-one
CID 2826184
10-[(3,4-dichlorophenyl)methylidene]anthracen-9-one
CID 5059220
(3E)-3-[(3-amino-4-fluorophenyl)methylidene]-2-benzofuran-1-one
CID 18444356

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one (CID 15959103) is (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one is Cc1ccc2c(c1)/C(=C/c1ccc(Cl)c(Cl)c1)OC2=O.
What is the InChIKey of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one?
The InChIKey is MUWUZTHECLKUHC-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H10Cl2O2/c1-9-2-4-11-12(6-9)15(20-16(11)19)8-10-3-5-13(17)14(18)7-10/h2-8H,1H3/b15-8-.
What are the key properties of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one?
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one has a molecular weight of 305.16 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one is sourced from PubChem (CID 15959103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).