(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one

C19H16O2 — CID 132539373

IUPAC(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one
SMILESCc1ccc(/C=C2/C=C(c3ccc(C)cc3)C(=O)O2)cc1
InChIInChI=1S/C19H16O2/c1-13-3-7-15(8-4-13)11-17-12-18(19(20)21-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b17-11-
InChIKeyQXXPDDGBFLXNFL-BOPFTXTBSA-N
MW276.34 g/mol
LogP4.28
Rot. Bonds2

About (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one

(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one (PubChem CID 132539373) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one
PubChem CID132539373
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one
SMILESCc1ccc(/C=C2/C=C(c3ccc(C)cc3)C(=O)O2)cc1
InChIInChI=1S/C19H16O2/c1-13-3-7-15(8-4-13)11-17-12-18(19(20)21-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b17-11-
InChIKeyQXXPDDGBFLXNFL-BOPFTXTBSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-3-bromo-5-[(4-methylphenyl)methylidene]furan-2-one
CID 15396149
(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 134846246
(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one
CID 102259031
3-methyl-5-[(4-nitrophenyl)methylidene]furan-2-one
CID 131878309
(5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one
CID 90368733
(5Z)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 11587605
(4Z)-2-(3-methylphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 683749
(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
CID 138968051
(3E)-5-(4-methylphenyl)-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 2258126
5-benzylidene-4-phenylfuran-2-one
CID 67301545
(3E)-3-[(4-methylphenyl)methylidene]oxolan-2-one
CID 6071028
(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-1,2-oxazol-5-one
CID 718659

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one (CID 132539373) is (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one is Cc1ccc(/C=C2/C=C(c3ccc(C)cc3)C(=O)O2)cc1.
What is the InChIKey of (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one?
The InChIKey is QXXPDDGBFLXNFL-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H16O2/c1-13-3-7-15(8-4-13)11-17-12-18(19(20)21-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b17-11-.
What are the key properties of (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one?
(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one has a molecular weight of 276.34 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one is sourced from PubChem (CID 132539373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).