[(E)-(2-hydroxyphenyl)methylideneamino] benzoate

C14H11NO3 — CID 135684142

IUPAC[(E)-(2-hydroxyphenyl)methylideneamino] benzoate
SMILESO=C(O/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-13-9-5-4-8-12(13)10-15-18-14(17)11-6-2-1-3-7-11/h1-10,16H/b15-10+
InChIKeyVEBQJAPVQDSNOV-XNTDXEJSSA-N
MW241.25 g/mol
LogP2.58
Rot. Bonds3

About [(E)-(2-hydroxyphenyl)methylideneamino] benzoate

[(E)-(2-hydroxyphenyl)methylideneamino] benzoate (PubChem CID 135684142) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is [(E)-(2-hydroxyphenyl)methylideneamino] benzoate.

Molecular Properties

Compound Name[(E)-(2-hydroxyphenyl)methylideneamino] benzoate
PubChem CID135684142
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name[(E)-(2-hydroxyphenyl)methylideneamino] benzoate
SMILESO=C(O/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-13-9-5-4-8-12(13)10-15-18-14(17)11-6-2-1-3-7-11/h1-10,16H/b15-10+
InChIKeyVEBQJAPVQDSNOV-XNTDXEJSSA-N
XLogP2.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.58
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

bis[(E)-(2-hydroxyphenyl)methylideneamino] benzene-1,3-dicarboxylate
CID 177444006
[(E)-(4-hydroxyphenyl)methylideneamino] benzoate
CID 135572086
[(E)-ethylideneamino] benzoate
CID 59571787
(1,3-benzodioxol-5-ylmethylideneamino) benzoate
CID 2818079
[(E)-(3,5-difluorophenyl)methylideneamino] benzoate
CID 11536244
[(2,6-dichloro-4-pyridinyl)methylideneamino] benzoate
CID 2782151
[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
CID 101383681
benzoyl benzenecarboperoxoate;2-ethenylphenol
CID 174484320
[(E)-benzylideneamino] 4-methoxybenzoate
CID 10634747
4-benzoyloxyiminobutanoic acid
CID 54486782
methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
CID 137304074
[(E)-(2,2-dimethyl-4,4-diphenylbut-3-enylidene)amino] benzoate
CID 15636099

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-hydroxyphenyl)methylideneamino] benzoate?
The IUPAC name of [(E)-(2-hydroxyphenyl)methylideneamino] benzoate (CID 135684142) is [(E)-(2-hydroxyphenyl)methylideneamino] benzoate.
What is the SMILES notation for [(E)-(2-hydroxyphenyl)methylideneamino] benzoate?
The canonical SMILES for [(E)-(2-hydroxyphenyl)methylideneamino] benzoate is O=C(O/N=C/c1ccccc1O)c1ccccc1.
What is the InChIKey of [(E)-(2-hydroxyphenyl)methylideneamino] benzoate?
The InChIKey is VEBQJAPVQDSNOV-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H11NO3/c16-13-9-5-4-8-12(13)10-15-18-14(17)11-6-2-1-3-7-11/h1-10,16H/b15-10+.
What are the key properties of [(E)-(2-hydroxyphenyl)methylideneamino] benzoate?
[(E)-(2-hydroxyphenyl)methylideneamino] benzoate has a molecular weight of 241.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-hydroxyphenyl)methylideneamino] benzoate is sourced from PubChem (CID 135684142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).