3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid

C20H16N2O3 — CID 4675648

IUPAC3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(NN=Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C20H16N2O3/c23-20(24)16-7-5-8-17(13-16)22-21-14-15-6-4-11-19(12-15)25-18-9-2-1-3-10-18/h1-14,22H,(H,23,24)
InChIKeyBWNFBAMFARWRRI-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.62
Rot. Bonds6

About 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid

3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 4675648) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID4675648
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(NN=Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C20H16N2O3/c23-20(24)16-7-5-8-17(13-16)22-21-14-15-6-4-11-19(12-15)25-18-9-2-1-3-10-18/h1-14,22H,(H,23,24)
InChIKeyBWNFBAMFARWRRI-UHFFFAOYSA-N
XLogP4.62
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.62
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

3-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841463
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 6110649
3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841464
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
3-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid
CID 3381171
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 4675648) is 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1cccc(NN=Cc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is BWNFBAMFARWRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-20(24)16-7-5-8-17(13-16)22-21-14-15-6-4-11-19(12-15)25-18-9-2-1-3-10-18/h1-14,22H,(H,23,24).
What are the key properties of 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid?
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 332.36 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 4675648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).