1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol

C24H26N2O3 — CID 19959358

IUPAC1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol
SMILESCOc1ccc(C(O)(Cc2cccnn2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H26N2O3/c1-28-22-14-13-19(16-23(22)29-21-11-5-6-12-21)24(27,18-8-3-2-4-9-18)17-20-10-7-15-25-26-20/h2-4,7-10,13-16,21,27H,5-6,11-12,17H2,1H3
InChIKeyUHSUEHGNYBUWJV-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.29
Rot. Bonds7

About 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol

1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol (PubChem CID 19959358) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol
PubChem CID19959358
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol
SMILESCOc1ccc(C(O)(Cc2cccnn2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H26N2O3/c1-28-22-14-13-19(16-23(22)29-21-11-5-6-12-21)24(27,18-8-3-2-4-9-18)17-20-10-7-15-25-26-20/h2-4,7-10,13-16,21,27H,5-6,11-12,17H2,1H3
InChIKeyUHSUEHGNYBUWJV-UHFFFAOYSA-N
XLogP4.29
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol (CID 19959358) is 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol is COc1ccc(C(O)(Cc2cccnn2)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol?
The InChIKey is UHSUEHGNYBUWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-22-14-13-19(16-23(22)29-21-11-5-6-12-21)24(27,18-8-3-2-4-9-18)17-20-10-7-15-25-26-20/h2-4,7-10,13-16,21,27H,5-6,11-12,17H2,1H3.
What are the key properties of 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol?
1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol has a molecular weight of 390.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-2-pyridazin-3-ylethanol is sourced from PubChem (CID 19959358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).