4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid

C22H20N2O3 — CID 110339795

IUPAC4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1cccc(COc2ccc(/C=N/Nc3ccc(C(=O)O)cc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-16-3-2-4-18(13-16)15-27-21-11-5-17(6-12-21)14-23-24-20-9-7-19(8-10-20)22(25)26/h2-14,24H,15H2,1H3,(H,25,26)/b23-14+
InChIKeyULSAWMFCULIBML-OEAKJJBVSA-N
MW360.41 g/mol
LogP4.72
Rot. Bonds7

About 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid

4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid (PubChem CID 110339795) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
PubChem CID110339795
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1cccc(COc2ccc(/C=N/Nc3ccc(C(=O)O)cc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-16-3-2-4-18(13-16)15-27-21-11-5-17(6-12-21)14-23-24-20-9-7-19(8-10-20)22(25)26/h2-14,24H,15H2,1H3,(H,25,26)/b23-14+
InChIKeyULSAWMFCULIBML-OEAKJJBVSA-N
XLogP4.72
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
4-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339706
2-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339797
4-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110337635
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354
N-(4-methoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5077102
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 5022696
N-[3-methyl-1-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3486870
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid (CID 110339795) is 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid is Cc1cccc(COc2ccc(/C=N/Nc3ccc(C(=O)O)cc3)cc2)c1.
What is the InChIKey of 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid?
The InChIKey is ULSAWMFCULIBML-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-3-2-4-18(13-16)15-27-21-11-5-17(6-12-21)14-23-24-20-9-7-19(8-10-20)22(25)26/h2-14,24H,15H2,1H3,(H,25,26)/b23-14+.
What are the key properties of 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid?
4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid has a molecular weight of 360.41 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 110339795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).