4-[(4-hydroxyphenyl)methylideneamino]benzoic acid

C14H11NO3 — CID 2306645

IUPAC4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H11NO3/c16-13-7-1-10(2-8-13)9-15-12-5-3-11(4-6-12)14(17)18/h1-9,16H,(H,17,18)/b15-9+
InChIKeyHRLVVRLMLAPCBI-OQLLNIDSSA-N
MW241.25 g/mol
LogP2.84
Rot. Bonds3

About 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid

4-[(4-hydroxyphenyl)methylideneamino]benzoic acid (PubChem CID 2306645) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
PubChem CID2306645
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H11NO3/c16-13-7-1-10(2-8-13)9-15-12-5-3-11(4-6-12)14(17)18/h1-9,16H,(H,17,18)/b15-9+
InChIKeyHRLVVRLMLAPCBI-OQLLNIDSSA-N
XLogP2.84
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
4-[[4-[bis[4-[(4-carboxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]benzoic acid
CID 122371002
[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
CID 102453857
4-(naphthalen-2-ylmethylideneamino)benzoic acid
CID 71359398
4-hydroxy(11C)benzoic acid
CID 11275035
3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one
CID 171147963
2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate
CID 135841988
4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
CID 3085874
N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide
CID 71816318
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid?
The IUPAC name of 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid (CID 2306645) is 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid is O=C(O)c1ccc(/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid?
The InChIKey is HRLVVRLMLAPCBI-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11NO3/c16-13-7-1-10(2-8-13)9-15-12-5-3-11(4-6-12)14(17)18/h1-9,16H,(H,17,18)/b15-9+.
What are the key properties of 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid?
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 2306645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).