3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one

C17H11BrO2 — CID 888387

IUPAC3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=CC1=Cc1ccccc1Br
InChIInChI=1S/C17H11BrO2/c18-15-9-5-4-8-13(15)10-14-11-16(20-17(14)19)12-6-2-1-3-7-12/h1-11H
InChIKeyMXOVCLIXOPSMQD-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.43
Rot. Bonds2

About 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one

3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one (PubChem CID 888387) has the molecular formula C17H11BrO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one
PubChem CID888387
Molecular FormulaC17H11BrO2
Molecular Weight327.18 g/mol
Exact Mass325.99
IUPAC Name3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=CC1=Cc1ccccc1Br
InChIInChI=1S/C17H11BrO2/c18-15-9-5-4-8-13(15)10-14-11-16(20-17(14)19)12-6-2-1-3-7-12/h1-11H
InChIKeyMXOVCLIXOPSMQD-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
CID 6272528
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
6-methyl-4-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-2-one
CID 11580746
3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one
CID 172635246
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 754604
(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
CID 762462
(3E)-3-(anthracen-9-ylmethylidene)-5-(4-phenylphenyl)furan-2-one
CID 11091173
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(4-phenylphenyl)furan-2-one
CID 10861529
(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 20831470
(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
CID 45375711
(3E)-5-(4-bromophenyl)-3-[[2-[(4-fluorophenyl)methylamino]phenyl]methylidene]furan-2-one
CID 21216068

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one?
The IUPAC name of 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one (CID 888387) is 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one.
What is the SMILES notation for 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one?
The canonical SMILES for 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one is O=C1OC(c2ccccc2)=CC1=Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one?
The InChIKey is MXOVCLIXOPSMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO2/c18-15-9-5-4-8-13(15)10-14-11-16(20-17(14)19)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one?
3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one has a molecular weight of 327.18 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one is sourced from PubChem (CID 888387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).