2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid

C10H12N2O3 — CID 168531416

IUPAC2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)ccc1C=NN
InChIInChI=1S/C10H12N2O3/c1-15-9-4-7(5-10(13)14)2-3-8(9)6-12-11/h2-4,6H,5,11H2,1H3,(H,13,14)
InChIKeyJBMYSMIPCDRAQA-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.61
Rot. Bonds4

About 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid

2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid (PubChem CID 168531416) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid
PubChem CID168531416
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)ccc1C=NN
InChIInChI=1S/C10H12N2O3/c1-15-9-4-7(5-10(13)14)2-3-8(9)6-12-11/h2-4,6H,5,11H2,1H3,(H,13,14)
InChIKeyJBMYSMIPCDRAQA-UHFFFAOYSA-N
XLogP0.61
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid
CID 169384024
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
2-[3-(iodomethyl)-4-methoxyphenyl]acetic acid
CID 147269305
2-[3-methoxy-4-[3-(4-methoxy-2-sulfanylphenyl)-3-oxoprop-1-enyl]phenyl]acetic acid
CID 150209208
2-amino-4-[4-(carboxymethyl)-2-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407730
2-(4-ethenyl-3-ethylphenyl)acetic acid
CID 143512870
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
CID 1209089
2-[4-[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxy-3-methoxyphenyl]acetic acid
CID 54022503
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769

Frequently Asked Questions

What is the IUPAC name of 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid (CID 168531416) is 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid is COc1cc(CC(=O)O)ccc1C=NN.
What is the InChIKey of 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid?
The InChIKey is JBMYSMIPCDRAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-9-4-7(5-10(13)14)2-3-8(9)6-12-11/h2-4,6H,5,11H2,1H3,(H,13,14).
What are the key properties of 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid?
2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 168531416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).