(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one

C23H21NO2 — CID 88532291

IUPAC(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
SMILESO=C(CC/C(=N/OCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c25-23(21-14-8-3-9-15-21)17-16-22(20-12-6-2-7-13-20)24-26-18-19-10-4-1-5-11-19/h1-15H,16-18H2/b24-22-
InChIKeyBHPFUIQSKGQMCW-GYHWCHFESA-N
MW343.43 g/mol
LogP5.27
Rot. Bonds8

About (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one

(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one (PubChem CID 88532291) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one.

Molecular Properties

Compound Name(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
PubChem CID88532291
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
SMILESO=C(CC/C(=N/OCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c25-23(21-14-8-3-9-15-21)17-16-22(20-12-6-2-7-13-20)24-26-18-19-10-4-1-5-11-19/h1-15H,16-18H2/b24-22-
InChIKeyBHPFUIQSKGQMCW-GYHWCHFESA-N
XLogP5.27
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one
CID 88532089
1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
CID 87328446
1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one
CID 88532056
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
[(4-oxo-1,4-diphenylbutylidene)amino] benzenesulfonate
CID 123773464
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
1,2-diphenylethanone;diphenylmethanone
CID 141067729
1,6-diphenylhexane-1,4-dione
CID 70896086
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
1-phenylbutan-1-one
CID 10315

Frequently Asked Questions

What is the IUPAC name of (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one?
The IUPAC name of (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one (CID 88532291) is (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one.
What is the SMILES notation for (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one?
The canonical SMILES for (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one is O=C(CC/C(=N/OCc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one?
The InChIKey is BHPFUIQSKGQMCW-GYHWCHFESA-N. The full InChI is InChI=1S/C23H21NO2/c25-23(21-14-8-3-9-15-21)17-16-22(20-12-6-2-7-13-20)24-26-18-19-10-4-1-5-11-19/h1-15H,16-18H2/b24-22-.
What are the key properties of (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one?
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one has a molecular weight of 343.43 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one is sourced from PubChem (CID 88532291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).