methyl 4-phthalazin-1-yloxybenzoate

C16H12N2O3 — CID 6410694

IUPACmethyl 4-phthalazin-1-yloxybenzoate
SMILESCOC(=O)c1ccc(Oc2nncc3ccccc23)cc1
InChIInChI=1S/C16H12N2O3/c1-20-16(19)11-6-8-13(9-7-11)21-15-14-5-3-2-4-12(14)10-17-18-15/h2-10H,1H3
InChIKeyFZRKDVZNJHDPOQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.21
Rot. Bonds3

About methyl 4-phthalazin-1-yloxybenzoate

methyl 4-phthalazin-1-yloxybenzoate (PubChem CID 6410694) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 4-phthalazin-1-yloxybenzoate.

Molecular Properties

Compound Namemethyl 4-phthalazin-1-yloxybenzoate
PubChem CID6410694
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Namemethyl 4-phthalazin-1-yloxybenzoate
SMILESCOC(=O)c1ccc(Oc2nncc3ccccc23)cc1
InChIInChI=1S/C16H12N2O3/c1-20-16(19)11-6-8-13(9-7-11)21-15-14-5-3-2-4-12(14)10-17-18-15/h2-10H,1H3
InChIKeyFZRKDVZNJHDPOQ-UHFFFAOYSA-N
XLogP3.21
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-phthalazin-1-yloxybenzoate?
The IUPAC name of methyl 4-phthalazin-1-yloxybenzoate (CID 6410694) is methyl 4-phthalazin-1-yloxybenzoate.
What is the SMILES notation for methyl 4-phthalazin-1-yloxybenzoate?
The canonical SMILES for methyl 4-phthalazin-1-yloxybenzoate is COC(=O)c1ccc(Oc2nncc3ccccc23)cc1.
What is the InChIKey of methyl 4-phthalazin-1-yloxybenzoate?
The InChIKey is FZRKDVZNJHDPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-20-16(19)11-6-8-13(9-7-11)21-15-14-5-3-2-4-12(14)10-17-18-15/h2-10H,1H3.
What are the key properties of methyl 4-phthalazin-1-yloxybenzoate?
methyl 4-phthalazin-1-yloxybenzoate has a molecular weight of 280.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phthalazin-1-yloxybenzoate is sourced from PubChem (CID 6410694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).