3-[(2-methoxyphenyl)methylideneamino]benzoic acid

C15H13NO3 — CID 961438

IUPAC3-[(2-methoxyphenyl)methylideneamino]benzoic acid
SMILESCOc1ccccc1/C=N/c1cccc(C(=O)O)c1
InChIInChI=1S/C15H13NO3/c1-19-14-8-3-2-5-12(14)10-16-13-7-4-6-11(9-13)15(17)18/h2-10H,1H3,(H,17,18)/b16-10+
InChIKeyUOZSBKZEYHHNRF-MHWRWJLKSA-N
MW255.27 g/mol
LogP3.14
Rot. Bonds4

About 3-[(2-methoxyphenyl)methylideneamino]benzoic acid

3-[(2-methoxyphenyl)methylideneamino]benzoic acid (PubChem CID 961438) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methylideneamino]benzoic acid
PubChem CID961438
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-[(2-methoxyphenyl)methylideneamino]benzoic acid
SMILESCOc1ccccc1/C=N/c1cccc(C(=O)O)c1
InChIInChI=1S/C15H13NO3/c1-19-14-8-3-2-5-12(14)10-16-13-7-4-6-11(9-13)15(17)18/h2-10H,1H3,(H,17,18)/b16-10+
InChIKeyUOZSBKZEYHHNRF-MHWRWJLKSA-N
XLogP3.14
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
CID 964852
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
3-[(2-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 690081
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
CID 693758
3-[(2,4-diethoxyphenyl)methylideneamino]benzoic acid
CID 23991610
4-[[2-[(3-bromophenyl)iminomethyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126192828
3-[[6-[(3-carboxyphenyl)iminomethyl]-2-pyridinyl]methylideneamino]benzoic acid
CID 71292598
4-[[2-[(4-carboxyphenyl)iminomethyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126193715
tris[2-[(3-hydroxyphenyl)iminomethyl]phenyl] benzene-1,3,5-tricarboxylate
CID 171716142
1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone
CID 11812637

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methylideneamino]benzoic acid?
The IUPAC name of 3-[(2-methoxyphenyl)methylideneamino]benzoic acid (CID 961438) is 3-[(2-methoxyphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 3-[(2-methoxyphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 3-[(2-methoxyphenyl)methylideneamino]benzoic acid is COc1ccccc1/C=N/c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)methylideneamino]benzoic acid?
The InChIKey is UOZSBKZEYHHNRF-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-14-8-3-2-5-12(14)10-16-13-7-4-6-11(9-13)15(17)18/h2-10H,1H3,(H,17,18)/b16-10+.
What are the key properties of 3-[(2-methoxyphenyl)methylideneamino]benzoic acid?
3-[(2-methoxyphenyl)methylideneamino]benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 961438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).