1-butoxy-4-(4-ethoxyphenyl)phthalazine

C20H22N2O2 — CID 6407038

IUPAC1-butoxy-4-(4-ethoxyphenyl)phthalazine
SMILESCCCCOc1nnc(-c2ccc(OCC)cc2)c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-3-5-14-24-20-18-9-7-6-8-17(18)19(21-22-20)15-10-12-16(13-11-15)23-4-2/h6-13H,3-5,14H2,1-2H3
InChIKeyPCENNAZBVBBHDQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.87
Rot. Bonds7

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

1-butoxy-4-(4-ethoxyphenyl)phthalazine (PubChem CID 6407038) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-butoxy-4-(4-ethoxyphenyl)phthalazine.

Molecular Properties

Compound Name1-butoxy-4-(4-ethoxyphenyl)phthalazine
PubChem CID6407038
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-butoxy-4-(4-ethoxyphenyl)phthalazine
SMILESCCCCOc1nnc(-c2ccc(OCC)cc2)c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-3-5-14-24-20-18-9-7-6-8-17(18)19(21-22-20)15-10-12-16(13-11-15)23-4-2/h6-13H,3-5,14H2,1-2H3
InChIKeyPCENNAZBVBBHDQ-UHFFFAOYSA-N
XLogP4.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.87
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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Related Compounds

1-(4-chlorophenyl)-4-ethoxyphthalazine
CID 6401671
1-butoxy-4-(2,6-dimethylphenyl)phthalazine
CID 58326573
diethyl-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]azanium
CID 6952734
2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
CID 2939528
1-(4-chlorophenyl)-4-(4-methylphenoxy)phthalazine
CID 6407120
9-(4-ethoxyphenyl)acridine
CID 18966036
4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine
CID 82192731
1-pentoxy-4-phenylbenzene
CID 7021155
4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 90488473
1-phenyl-4-propan-2-yloxyphthalazine
CID 2836685
1-butylsulfanyl-4-(4-methylphenyl)phthalazine
CID 6407380
3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
CID 20868724

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(4-ethoxyphenyl)phthalazine?
The IUPAC name of 1-butoxy-4-(4-ethoxyphenyl)phthalazine (CID 6407038) is 1-butoxy-4-(4-ethoxyphenyl)phthalazine.
What is the SMILES notation for 1-butoxy-4-(4-ethoxyphenyl)phthalazine?
The canonical SMILES for 1-butoxy-4-(4-ethoxyphenyl)phthalazine is CCCCOc1nnc(-c2ccc(OCC)cc2)c2ccccc12.
What is the InChIKey of 1-butoxy-4-(4-ethoxyphenyl)phthalazine?
The InChIKey is PCENNAZBVBBHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-5-14-24-20-18-9-7-6-8-17(18)19(21-22-20)15-10-12-16(13-11-15)23-4-2/h6-13H,3-5,14H2,1-2H3.
What are the key properties of 1-butoxy-4-(4-ethoxyphenyl)phthalazine?
1-butoxy-4-(4-ethoxyphenyl)phthalazine has a molecular weight of 322.41 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-(4-ethoxyphenyl)phthalazine is sourced from PubChem (CID 6407038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).