3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate

C23H17N2O3- — CID 7109213

IUPAC3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate
SMILESCc1ccc(-c2nnc(Oc3cccc(C(=O)[O-])c3)c3ccccc23)cc1C
InChIInChI=1S/C23H18N2O3/c1-14-10-11-16(12-15(14)2)21-19-8-3-4-9-20(19)22(25-24-21)28-18-7-5-6-17(13-18)23(26)27/h3-13H,1-2H3,(H,26,27)/p-1
InChIKeyGUZUFJBFAWYTCC-UHFFFAOYSA-M
MW369.40 g/mol
LogP4.07
Rot. Bonds4

About 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate

3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate (PubChem CID 7109213) has the molecular formula C23H17N2O3- and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate.

Molecular Properties

Compound Name3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate
PubChem CID7109213
Molecular FormulaC23H17N2O3-
Molecular Weight369.40 g/mol
Exact Mass369.12
IUPAC Name3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate
SMILESCc1ccc(-c2nnc(Oc3cccc(C(=O)[O-])c3)c3ccccc23)cc1C
InChIInChI=1S/C23H18N2O3/c1-14-10-11-16(12-15(14)2)21-19-8-3-4-9-20(19)22(25-24-21)28-18-7-5-6-17(13-18)23(26)27/h3-13H,1-2H3,(H,26,27)/p-1
InChIKeyGUZUFJBFAWYTCC-UHFFFAOYSA-M
XLogP4.07
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate 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

N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885533
N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885356
1-(3-fluorophenoxy)-4-phenylphthalazine
CID 22011922
N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 2900595
1-(4-chlorophenyl)-4-(4-methylphenoxy)phthalazine
CID 6407120
1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine
CID 154056698
1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6407636
N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 6407169
5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
CID 3149668
1-(3-fluorophenoxy)-4-methylphthalazine
CID 20971235
N-[4-(3,4-dimethylphenyl)phthalazin-1-yl]-N',N'-dimethylpropane-1,3-diamine;oxalic acid
CID 45042443
3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide
CID 24658495

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate?
The IUPAC name of 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate (CID 7109213) is 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate.
What is the SMILES notation for 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate?
The canonical SMILES for 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate is Cc1ccc(-c2nnc(Oc3cccc(C(=O)[O-])c3)c3ccccc23)cc1C.
What is the InChIKey of 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate?
The InChIKey is GUZUFJBFAWYTCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H18N2O3/c1-14-10-11-16(12-15(14)2)21-19-8-3-4-9-20(19)22(25-24-21)28-18-7-5-6-17(13-18)23(26)27/h3-13H,1-2H3,(H,26,27)/p-1.
What are the key properties of 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate?
3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate has a molecular weight of 369.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate is sourced from PubChem (CID 7109213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).