4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid

C15H16N2O2 — CID 175195414

IUPAC4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
SMILESCCc1ccc(NNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H16N2O2/c1-2-11-3-7-13(8-4-11)16-17-14-9-5-12(6-10-14)15(18)19/h3-10,16-17H,2H2,1H3,(H,18,19)
InChIKeyLATKPJLFBNBCPJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.39
Rot. Bonds5

About 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid

4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid (PubChem CID 175195414) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
PubChem CID175195414
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
SMILESCCc1ccc(NNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H16N2O2/c1-2-11-3-7-13(8-4-11)16-17-14-9-5-12(6-10-14)15(18)19/h3-10,16-17H,2H2,1H3,(H,18,19)
InChIKeyLATKPJLFBNBCPJ-UHFFFAOYSA-N
XLogP3.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
4-ethylbenzoic acid;formaldehyde
CID 155718391
4-ethylphenol;4-hydroxybenzoic acid
CID 158740772
4-[[(4-ethylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 2988484
4-[[3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzoic acid
CID 890469
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193288
4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid
CID 143217668
ethane;4-ethylbenzoic acid;pyridine
CID 90933398
ethylbenzene;4-hydroxybenzoic acid
CID 67658801
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid (CID 175195414) is 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid is CCc1ccc(NNc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid?
The InChIKey is LATKPJLFBNBCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-11-3-7-13(8-4-11)16-17-14-9-5-12(6-10-14)15(18)19/h3-10,16-17H,2H2,1H3,(H,18,19).
What are the key properties of 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid?
4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid is sourced from PubChem (CID 175195414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).