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

C20H16N2O3 — CID 110841337

IUPAC2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1NN=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c23-20(24)18-8-4-5-9-19(18)22-21-14-15-10-12-17(13-11-15)25-16-6-2-1-3-7-16/h1-14,22H,(H,23,24)
InChIKeyWWLVLTNHTARXCH-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.62
Rot. Bonds6

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

2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 110841337) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID110841337
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1NN=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c23-20(24)18-8-4-5-9-19(18)22-21-14-15-10-12-17(13-11-15)25-16-6-2-1-3-7-16/h1-14,22H,(H,23,24)
InChIKeyWWLVLTNHTARXCH-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': '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-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
CID 3905063
2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]benzoic acid
CID 20982677
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
2-[(2E)-2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339654
2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 4692966
2-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339708
2-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339797
2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 45327412
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
2-[2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841310
N-[(4-phenoxyphenyl)methylideneamino]methanamine
CID 110839619
2-[(2E)-2-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 19578665

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 110841337) is 2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccccc1NN=Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is WWLVLTNHTARXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-20(24)18-8-4-5-9-19(18)22-21-14-15-10-12-17(13-11-15)25-16-6-2-1-3-7-16/h1-14,22H,(H,23,24).
What are the key properties of 2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid?
2-[2-[(4-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 2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 110841337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).