[(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate

C15H12ClNO3 — CID 135520583

IUPAC[(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate
SMILESC/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C15H12ClNO3/c1-10(13-4-2-3-5-14(13)18)17-20-15(19)11-6-8-12(16)9-7-11/h2-9,18H,1H3/b17-10+
InChIKeyBFFPEGPNOAMBNK-LICLKQGHSA-N
MW289.72 g/mol
LogP3.63
Rot. Bonds3

About [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate

[(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate (PubChem CID 135520583) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate.

Molecular Properties

Compound Name[(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate
PubChem CID135520583
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name[(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate
SMILESC/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C15H12ClNO3/c1-10(13-4-2-3-5-14(13)18)17-20-15(19)11-6-8-12(16)9-7-11/h2-9,18H,1H3/b17-10+
InChIKeyBFFPEGPNOAMBNK-LICLKQGHSA-N
XLogP3.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.63
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-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate
CID 2803461
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
[(E)-1-(2-hydroxyphenyl)propylideneamino] 4-phenylbenzoate
CID 135619834
[[4-(4-chlorobenzoyl)oxyiminocyclohexa-2,5-dien-1-ylidene]amino] 2-chlorobenzoate
CID 5120586
ethane;1-(2-hydroxyphenyl)ethanone;2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenol
CID 172964742
[(Z)-1-(3,4-dichlorophenyl)ethylideneamino] 2-bromobenzoate
CID 6084821
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
CID 139073697
[[amino-(4-chlorophenyl)methylidene]amino] 4-iodobenzoate
CID 2890265
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
CID 2869302

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate?
The IUPAC name of [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate (CID 135520583) is [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate.
What is the SMILES notation for [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate?
The canonical SMILES for [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate is C/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccccc1O.
What is the InChIKey of [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate?
The InChIKey is BFFPEGPNOAMBNK-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-10(13-4-2-3-5-14(13)18)17-20-15(19)11-6-8-12(16)9-7-11/h2-9,18H,1H3/b17-10+.
What are the key properties of [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate?
[(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate has a molecular weight of 289.72 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate is sourced from PubChem (CID 135520583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).