5-methyl-2-phthalazin-1-yloxybenzoic acid

C16H12N2O3 — CID 61396297

IUPAC5-methyl-2-phthalazin-1-yloxybenzoic acid
SMILESCc1ccc(Oc2nncc3ccccc23)c(C(=O)O)c1
InChIInChI=1S/C16H12N2O3/c1-10-6-7-14(13(8-10)16(19)20)21-15-12-5-3-2-4-11(12)9-17-18-15/h2-9H,1H3,(H,19,20)
InChIKeyXPMCHJQANIUDKZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.43
Rot. Bonds3

About 5-methyl-2-phthalazin-1-yloxybenzoic acid

5-methyl-2-phthalazin-1-yloxybenzoic acid (PubChem CID 61396297) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-methyl-2-phthalazin-1-yloxybenzoic acid.

Molecular Properties

Compound Name5-methyl-2-phthalazin-1-yloxybenzoic acid
PubChem CID61396297
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name5-methyl-2-phthalazin-1-yloxybenzoic acid
SMILESCc1ccc(Oc2nncc3ccccc23)c(C(=O)O)c1
InChIInChI=1S/C16H12N2O3/c1-10-6-7-14(13(8-10)16(19)20)21-15-12-5-3-2-4-11(12)9-17-18-15/h2-9H,1H3,(H,19,20)
InChIKeyXPMCHJQANIUDKZ-UHFFFAOYSA-N
XLogP3.43
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-phthalazin-1-yloxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-phthalazin-1-yloxybenzoic acid
CID 107672852
2-methyl-4-phthalazin-1-yloxybenzoic acid
CID 107672665
1-(5-amino-2-phthalazin-1-yloxyphenyl)ethanone
CID 116541453
3-chloro-4-phthalazin-1-yloxybenzoic acid
CID 61396381
5-methyl-2-quinazolin-2-yloxybenzoic acid
CID 114789657
5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
2-oxopropanedial;tetrakis(1-phthalazin-1-yloxyphthalazine)
CID 174500903
3-fluoro-4-phthalazin-1-yloxyaniline
CID 43517076
1-(4-bromo-3-methylphenoxy)phthalazine
CID 83141017
phthalazin-1-yl methanesulfonate
CID 173162760
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid
CID 80515853

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phthalazin-1-yloxybenzoic acid?
The IUPAC name of 5-methyl-2-phthalazin-1-yloxybenzoic acid (CID 61396297) is 5-methyl-2-phthalazin-1-yloxybenzoic acid.
What is the SMILES notation for 5-methyl-2-phthalazin-1-yloxybenzoic acid?
The canonical SMILES for 5-methyl-2-phthalazin-1-yloxybenzoic acid is Cc1ccc(Oc2nncc3ccccc23)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-phthalazin-1-yloxybenzoic acid?
The InChIKey is XPMCHJQANIUDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-6-7-14(13(8-10)16(19)20)21-15-12-5-3-2-4-11(12)9-17-18-15/h2-9H,1H3,(H,19,20).
What are the key properties of 5-methyl-2-phthalazin-1-yloxybenzoic acid?
5-methyl-2-phthalazin-1-yloxybenzoic acid has a molecular weight of 280.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phthalazin-1-yloxybenzoic acid is sourced from PubChem (CID 61396297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).