[(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate

C22H19NO3 — CID 135619834

IUPAC[(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate
SMILESCC/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C22H19NO3/c1-2-20(19-10-6-7-11-21(19)24)23-26-22(25)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,24H,2H2,1H3/b23-20+
InChIKeyGNSCNLFELWNPIU-BSYVCWPDSA-N
MW345.40 g/mol
LogP5.03
Rot. Bonds5

About [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate

[(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate (PubChem CID 135619834) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate.

Molecular Properties

Compound Name[(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate
PubChem CID135619834
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name[(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate
SMILESCC/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C22H19NO3/c1-2-20(19-10-6-7-11-21(19)24)23-26-22(25)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,24H,2H2,1H3/b23-20+
InChIKeyGNSCNLFELWNPIU-BSYVCWPDSA-N
XLogP5.03
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-phenylhexylideneamino) 4-phenylbenzoate
CID 3098243
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 4-phenylbenzoate
CID 19294123
[(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate
CID 135520583
[[10-benzoyloxyimino-1,10-bis(2-hydroxy-5-methoxyphenyl)decylidene]amino] benzoate
CID 4694704
[(E)-1-phenylpropylideneamino] pyridine-3-carboxylate
CID 10106353
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
2-hydroxy-N-(4-phenylbenzoyl)benzamide
CID 57385750
[(Z)-[1-[4-(4-nitrophenyl)phenyl]-1-oxobutan-2-ylidene]amino] benzoate
CID 118054194
(1-oxobutan-2-ylideneamino) benzoate
CID 175932677
ethyl-(4-phenylbenzoyl)oxychloranium
CID 148936273
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate?
The IUPAC name of [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate (CID 135619834) is [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate.
What is the SMILES notation for [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate?
The canonical SMILES for [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate is CC/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O.
What is the InChIKey of [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate?
The InChIKey is GNSCNLFELWNPIU-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-20(19-10-6-7-11-21(19)24)23-26-22(25)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,24H,2H2,1H3/b23-20+.
What are the key properties of [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate?
[(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate has a molecular weight of 345.40 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate is sourced from PubChem (CID 135619834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).