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

C22H20N2O3 — CID 110338657

IUPAC2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1ccccc1COc1ccccc1/C=N/Nc1ccccc1C(=O)O
InChIInChI=1S/C22H20N2O3/c1-16-8-2-3-10-18(16)15-27-21-13-7-4-9-17(21)14-23-24-20-12-6-5-11-19(20)22(25)26/h2-14,24H,15H2,1H3,(H,25,26)/b23-14+
InChIKeyBVPUMJUESAUJCR-OEAKJJBVSA-N
MW360.41 g/mol
LogP4.72
Rot. Bonds7

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

2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid (PubChem CID 110338657) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
PubChem CID110338657
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1ccccc1COc1ccccc1/C=N/Nc1ccccc1C(=O)O
InChIInChI=1S/C22H20N2O3/c1-16-8-2-3-10-18(16)15-27-21-13-7-4-9-17(21)14-23-24-20-12-6-5-11-19(20)22(25)26/h2-14,24H,15H2,1H3,(H,25,26)/b23-14+
InChIKeyBVPUMJUESAUJCR-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': 'anthranil_acid_A(19)', '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

2-[(2E)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339562
2-[2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 3698139
4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840677
2-hydroxy-2-methyl-N-[(Z)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]propanamide
CID 39818823
1-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3568112
4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110338654
2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate
CID 135708289
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841262
2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
CID 45327399
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 4005945
2-methyl-N-[2-[[(E)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 6875982

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid (CID 110338657) is 2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid is Cc1ccccc1COc1ccccc1/C=N/Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid?
The InChIKey is BVPUMJUESAUJCR-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-8-2-3-10-18(16)15-27-21-13-7-4-9-17(21)14-23-24-20-12-6-5-11-19(20)22(25)26/h2-14,24H,15H2,1H3,(H,25,26)/b23-14+.
What are the key properties of 2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid?
2-[(2E)-2-[[2-[(2-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 2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 110338657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).