1-butoxy-4-(4-methoxyphenyl)phthalazine

C19H20N2O2 — CID 2885338

IUPAC1-butoxy-4-(4-methoxyphenyl)phthalazine
SMILESCCCCOc1nnc(-c2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-3-4-13-23-19-17-8-6-5-7-16(17)18(20-21-19)14-9-11-15(22-2)12-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyJLPQRMPFCZRPHF-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.48
Rot. Bonds6

About 1-butoxy-4-(4-methoxyphenyl)phthalazine

1-butoxy-4-(4-methoxyphenyl)phthalazine (PubChem CID 2885338) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-butoxy-4-(4-methoxyphenyl)phthalazine.

Molecular Properties

Compound Name1-butoxy-4-(4-methoxyphenyl)phthalazine
PubChem CID2885338
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-butoxy-4-(4-methoxyphenyl)phthalazine
SMILESCCCCOc1nnc(-c2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-3-4-13-23-19-17-8-6-5-7-16(17)18(20-21-19)14-9-11-15(22-2)12-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyJLPQRMPFCZRPHF-UHFFFAOYSA-N
XLogP4.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(4-methoxyphenyl)phthalazine?
The IUPAC name of 1-butoxy-4-(4-methoxyphenyl)phthalazine (CID 2885338) is 1-butoxy-4-(4-methoxyphenyl)phthalazine.
What is the SMILES notation for 1-butoxy-4-(4-methoxyphenyl)phthalazine?
The canonical SMILES for 1-butoxy-4-(4-methoxyphenyl)phthalazine is CCCCOc1nnc(-c2ccc(OC)cc2)c2ccccc12.
What is the InChIKey of 1-butoxy-4-(4-methoxyphenyl)phthalazine?
The InChIKey is JLPQRMPFCZRPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-4-13-23-19-17-8-6-5-7-16(17)18(20-21-19)14-9-11-15(22-2)12-10-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-butoxy-4-(4-methoxyphenyl)phthalazine?
1-butoxy-4-(4-methoxyphenyl)phthalazine has a molecular weight of 308.38 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-(4-methoxyphenyl)phthalazine is sourced from PubChem (CID 2885338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).