(Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one

C22H17NO — CID 45069295

IUPAC(Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccc1)c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C22H17NO/c24-22(16-11-18-7-3-1-4-8-18)20-12-14-21(15-13-20)23-17-19-9-5-2-6-10-19/h1-17H/b16-11-,23-17+
InChIKeyAWZUBXVXZYOHJJ-FNBMSSDVSA-N
MW311.38 g/mol
LogP5.33
Rot. Bonds5

About (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one

(Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 45069295) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one
PubChem CID45069295
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name(Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccc1)c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C22H17NO/c24-22(16-11-18-7-3-1-4-8-18)20-12-14-21(15-13-20)23-17-19-9-5-2-6-10-19/h1-17H/b16-11-,23-17+
InChIKeyAWZUBXVXZYOHJJ-FNBMSSDVSA-N
XLogP5.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one
CID 171147963
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
CID 71348543
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
1-[4-(hydroxymethyl)phenyl]-3-phenylprop-2-en-1-one
CID 123882719
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
3-[4-[[4-(2-phenylethynyl)phenyl]methylideneamino]phenyl]prop-2-enoic acid
CID 4024879

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one (CID 45069295) is (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one is O=C(/C=C\c1ccccc1)c1ccc(/N=C/c2ccccc2)cc1.
What is the InChIKey of (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is AWZUBXVXZYOHJJ-FNBMSSDVSA-N. The full InChI is InChI=1S/C22H17NO/c24-22(16-11-18-7-3-1-4-8-18)20-12-14-21(15-13-20)23-17-19-9-5-2-6-10-19/h1-17H/b16-11-,23-17+.
What are the key properties of (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one?
(Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 311.38 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 45069295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).