2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid

C16H16N2O3 — CID 169384024

IUPAC2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid
SMILESCOc1cc(CC(=O)O)ccc1C=NNc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-15-9-12(10-16(19)20)7-8-13(15)11-17-18-14-5-3-2-4-6-14/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyJPLLUKTXSYKHAU-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.77
Rot. Bonds6

About 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid

2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid (PubChem CID 169384024) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid
PubChem CID169384024
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid
SMILESCOc1cc(CC(=O)O)ccc1C=NNc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-15-9-12(10-16(19)20)7-8-13(15)11-17-18-14-5-3-2-4-6-14/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyJPLLUKTXSYKHAU-UHFFFAOYSA-N
XLogP2.77
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.77
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-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid
CID 168531416
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
CID 169384053
[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169383922
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137122723
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
4-[3,5-dimethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]butanoic acid
CID 169381839

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid?
The IUPAC name of 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid (CID 169384024) is 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid is COc1cc(CC(=O)O)ccc1C=NNc1ccccc1.
What is the InChIKey of 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid?
The InChIKey is JPLLUKTXSYKHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-15-9-12(10-16(19)20)7-8-13(15)11-17-18-14-5-3-2-4-6-14/h2-9,11,18H,10H2,1H3,(H,19,20).
What are the key properties of 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid?
2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid has a molecular weight of 284.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid is sourced from PubChem (CID 169384024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).