[(E)-benzylideneamino] 4-methoxybenzoate

C15H13NO3 — CID 10634747

IUPAC[(E)-benzylideneamino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c1-18-14-9-7-13(8-10-14)15(17)19-16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+
InChIKeyBEULFDJIHIEJKM-LFIBNONCSA-N
MW255.27 g/mol
LogP2.89
Rot. Bonds4

About [(E)-benzylideneamino] 4-methoxybenzoate

[(E)-benzylideneamino] 4-methoxybenzoate (PubChem CID 10634747) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is [(E)-benzylideneamino] 4-methoxybenzoate.

Molecular Properties

Compound Name[(E)-benzylideneamino] 4-methoxybenzoate
PubChem CID10634747
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name[(E)-benzylideneamino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c1-18-14-9-7-13(8-10-14)15(17)19-16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+
InChIKeyBEULFDJIHIEJKM-LFIBNONCSA-N
XLogP2.89
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
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

ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate
CID 143594919
[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
CID 101383681
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
[(E)-(4-hydroxyphenyl)methylideneamino] benzoate
CID 135572086
[(Z)-[(E)-1-phenylpent-1-en-3-ylidene]amino] 4-methoxybenzoate
CID 6339517
(1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate
CID 770356
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
anisole;methyl 4-methoxybenzoate
CID 158093995
[(2,6-dichloro-4-pyridinyl)methylideneamino] benzoate
CID 2782151
[(E)-(3,5-difluorophenyl)methylideneamino] benzoate
CID 11536244
[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
CID 5415416
[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate
CID 6873737

Frequently Asked Questions

What is the IUPAC name of [(E)-benzylideneamino] 4-methoxybenzoate?
The IUPAC name of [(E)-benzylideneamino] 4-methoxybenzoate (CID 10634747) is [(E)-benzylideneamino] 4-methoxybenzoate.
What is the SMILES notation for [(E)-benzylideneamino] 4-methoxybenzoate?
The canonical SMILES for [(E)-benzylideneamino] 4-methoxybenzoate is COc1ccc(C(=O)O/N=C/c2ccccc2)cc1.
What is the InChIKey of [(E)-benzylideneamino] 4-methoxybenzoate?
The InChIKey is BEULFDJIHIEJKM-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-14-9-7-13(8-10-14)15(17)19-16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+.
What are the key properties of [(E)-benzylideneamino] 4-methoxybenzoate?
[(E)-benzylideneamino] 4-methoxybenzoate has a molecular weight of 255.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-benzylideneamino] 4-methoxybenzoate is sourced from PubChem (CID 10634747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).