4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid

C14H12N2O3 — CID 3681408

IUPAC4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(NN=Cc2ccccc2O)cc1
InChIInChI=1S/C14H12N2O3/c17-13-4-2-1-3-11(13)9-15-16-12-7-5-10(6-8-12)14(18)19/h1-9,16-17H,(H,18,19)
InChIKeyLVRFDKIEKFOQDO-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.54
Rot. Bonds4

About 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid

4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 3681408) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID3681408
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(NN=Cc2ccccc2O)cc1
InChIInChI=1S/C14H12N2O3/c17-13-4-2-1-3-11(13)9-15-16-12-7-5-10(6-8-12)14(18)19/h1-9,16-17H,(H,18,19)
InChIKeyLVRFDKIEKFOQDO-UHFFFAOYSA-N
XLogP2.54
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
CID 8971364
4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789686
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4850995
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile
CID 139084695
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
CID 135406957
4-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 5042839
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 3681408) is 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccc(NN=Cc2ccccc2O)cc1.
What is the InChIKey of 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is LVRFDKIEKFOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13-4-2-1-3-11(13)9-15-16-12-7-5-10(6-8-12)14(18)19/h1-9,16-17H,(H,18,19).
What are the key properties of 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 3681408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).