2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid

C18H20N2O4 — CID 110841262

IUPAC2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCCCOc1c(C=NNc2ccccc2C(=O)O)cccc1OC
InChIInChI=1S/C18H20N2O4/c1-3-11-24-17-13(7-6-10-16(17)23-2)12-19-20-15-9-5-4-8-14(15)18(21)22/h4-10,12,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyWYPCWXYGOAJGNG-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.63
Rot. Bonds8

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

2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 110841262) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID110841262
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCCCOc1c(C=NNc2ccccc2C(=O)O)cccc1OC
InChIInChI=1S/C18H20N2O4/c1-3-11-24-17-13(7-6-10-16(17)23-2)12-19-20-15-9-5-4-8-14(15)18(21)22/h4-10,12,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyWYPCWXYGOAJGNG-UHFFFAOYSA-N
XLogP3.63
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate
CID 135708289
2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
CID 45327399
4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
CID 110506232
N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504984
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110839989
ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate
CID 169383267
2-fluoro-N-[3-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3269745
2-[(2E)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339562
2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110338657
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 110841262) is 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid is CCCOc1c(C=NNc2ccccc2C(=O)O)cccc1OC.
What is the InChIKey of 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is WYPCWXYGOAJGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-11-24-17-13(7-6-10-16(17)23-2)12-19-20-15-9-5-4-8-14(15)18(21)22/h4-10,12,20H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid?
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 328.37 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 110841262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).