(2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one

C19H14N2O3 — CID 18526539

IUPAC(2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one
SMILESCc1ccc(C2=CC(=O)/C(=N\N=C\C(=O)c3ccccc3)O2)cc1
InChIInChI=1S/C19H14N2O3/c1-13-7-9-15(10-8-13)18-11-16(22)19(24-18)21-20-12-17(23)14-5-3-2-4-6-14/h2-12H,1H3/b20-12+,21-19+
InChIKeyKKNHVDCBHCGKOO-IHBSRWQLSA-N
MW318.33 g/mol
LogP3.20
Rot. Bonds4

About (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one

(2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one (PubChem CID 18526539) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one.

Molecular Properties

Compound Name(2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one
PubChem CID18526539
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name(2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one
SMILESCc1ccc(C2=CC(=O)/C(=N\N=C\C(=O)c3ccccc3)O2)cc1
InChIInChI=1S/C19H14N2O3/c1-13-7-9-15(10-8-13)18-11-16(22)19(24-18)21-20-12-17(23)14-5-3-2-4-6-14/h2-12H,1H3/b20-12+,21-19+
InChIKeyKKNHVDCBHCGKOO-IHBSRWQLSA-N
XLogP3.20
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-[(3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-methylphenyl)furan-2-ylidene]acetate
CID 23726954
1,5-dimethyl-4-[[5-(4-methylphenyl)-3-oxofuran-2-ylidene]amino]-2-phenylpyrazol-3-one
CID 4988629
(3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one
CID 11201275
methyl (2Z)-2-[5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetate
CID 6369404
azane;2-hydroxyimino-1-phenylethanone
CID 172864672
3-[5-(4-methylphenyl)thiophen-2-yl]-1-phenylprop-2-en-1-one
CID 71366312
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
benzoic acid;4-methylbenzoic acid
CID 71272637
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
methyl (2Z)-2-bromo-2-[5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetate
CID 3073478
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602

Frequently Asked Questions

What is the IUPAC name of (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one?
The IUPAC name of (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one (CID 18526539) is (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one.
What is the SMILES notation for (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one?
The canonical SMILES for (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one is Cc1ccc(C2=CC(=O)/C(=N\N=C\C(=O)c3ccccc3)O2)cc1.
What is the InChIKey of (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one?
The InChIKey is KKNHVDCBHCGKOO-IHBSRWQLSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-13-7-9-15(10-8-13)18-11-16(22)19(24-18)21-20-12-17(23)14-5-3-2-4-6-14/h2-12H,1H3/b20-12+,21-19+.
What are the key properties of (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one?
(2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one has a molecular weight of 318.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-(4-methylphenyl)-2-[(E)-phenacylidenehydrazinylidene]furan-3-one is sourced from PubChem (CID 18526539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).