(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one

C18H14O2 — CID 102259031

IUPAC(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one
SMILESCc1ccc(C2=CC(=O)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C18H14O2/c1-13-7-9-15(10-8-13)16-12-18(19)20-17(16)11-14-5-3-2-4-6-14/h2-12H,1H3/b17-11-
InChIKeyZDUHSXVWWVPQOD-BOPFTXTBSA-N
MW262.31 g/mol
LogP3.98
Rot. Bonds2

About (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one

(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one (PubChem CID 102259031) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one
PubChem CID102259031
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one
SMILESCc1ccc(C2=CC(=O)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C18H14O2/c1-13-7-9-15(10-8-13)16-12-18(19)20-17(16)11-14-5-3-2-4-6-14/h2-12H,1H3/b17-11-
InChIKeyZDUHSXVWWVPQOD-BOPFTXTBSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzylidene-4-phenylfuran-2-one
CID 67301545
(5Z)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 11587605
(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one
CID 132539373
5-benzylidene-4-phenylsulfanylfuran-2-one
CID 71338715
(5Z)-4-thiophen-3-yl-5-(thiophen-3-ylmethylidene)furan-2-one
CID 24825845
2-benzylidene-6-hydroxy-5-(4-methylphenyl)-1-benzofuran-3-one
CID 141411814
(3Z)-3-benzylidene-5-methylfuran-2-one
CID 121009416
(5Z)-3-bromo-5-[(4-methylphenyl)methylidene]furan-2-one
CID 15396149
(2E)-2-benzylidene-6-methyl-4H-1,4-benzoxazin-3-one
CID 124643521
(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
CID 138968051
(5Z)-5-[(2,2-dimethylchromen-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
CID 142740294
(5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 172561876

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one?
The IUPAC name of (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one (CID 102259031) is (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one.
What is the SMILES notation for (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one?
The canonical SMILES for (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one is Cc1ccc(C2=CC(=O)O/C2=C\c2ccccc2)cc1.
What is the InChIKey of (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one?
The InChIKey is ZDUHSXVWWVPQOD-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H14O2/c1-13-7-9-15(10-8-13)16-12-18(19)20-17(16)11-14-5-3-2-4-6-14/h2-12H,1H3/b17-11-.
What are the key properties of (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one?
(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one has a molecular weight of 262.31 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one is sourced from PubChem (CID 102259031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).