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

C16H11BrO2 — CID 18823524

IUPAC(2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one
SMILESCc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)O2
InChIInChI=1S/C16H11BrO2/c1-10-2-7-14-13(8-10)16(18)15(19-14)9-11-3-5-12(17)6-4-11/h2-9H,1H3/b15-9-
InChIKeyMIQAQFPXVHLDCE-DHDCSXOGSA-N
MW315.17 g/mol
LogP4.37
Rot. Bonds1

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

(2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one (PubChem CID 18823524) has the molecular formula C16H11BrO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is (2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one
PubChem CID18823524
Molecular FormulaC16H11BrO2
Molecular Weight315.17 g/mol
Exact Mass313.99
IUPAC Name(2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one
SMILESCc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)O2
InChIInChI=1S/C16H11BrO2/c1-10-2-7-14-13(8-10)16(18)15(19-14)9-11-3-5-12(17)6-4-11/h2-9H,1H3/b15-9-
InChIKeyMIQAQFPXVHLDCE-DHDCSXOGSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.37
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-(dimethylamino)phenyl]methylidene]-5-methyl-1-benzofuran-3-one
CID 18823534
(2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one
CID 50905816
(2E)-5-methyl-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 91988248
(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
(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823576
(3E)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]-6-methylchromen-4-one
CID 175408655
[2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
CID 3277650
[2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] acetate
CID 3916059
4-[(Z)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]benzonitrile
CID 157475625
(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823547
(2E)-2-[(4-aminophenyl)methylidene]-5-iodo-1-benzofuran-3-one
CID 177399745

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one (CID 18823524) is (2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one is Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)O2.
What is the InChIKey of (2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one?
The InChIKey is MIQAQFPXVHLDCE-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H11BrO2/c1-10-2-7-14-13(8-10)16(18)15(19-14)9-11-3-5-12(17)6-4-11/h2-9H,1H3/b15-9-.
What are the key properties of (2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one?
(2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one has a molecular weight of 315.17 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one is sourced from PubChem (CID 18823524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).