4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one

C16H18N2O3 — CID 25133793

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cn[nH]c(=O)c2)cc1OC1CCCC1
InChIInChI=1S/C16H18N2O3/c1-20-14-7-6-11(12-9-16(19)18-17-10-12)8-15(14)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,19)
InChIKeyBLOQDUIMJMATMU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.77
Rot. Bonds4

About 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one

4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 25133793) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID25133793
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cn[nH]c(=O)c2)cc1OC1CCCC1
InChIInChI=1S/C16H18N2O3/c1-20-14-7-6-11(12-9-16(19)18-17-10-12)8-15(14)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,19)
InChIKeyBLOQDUIMJMATMU-UHFFFAOYSA-N
XLogP2.77
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
4-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroimidazol-2-one
CID 54226291
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
CID 142663125
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide
CID 57122404
1-cyclopentyl-3-[5-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-2-yl]benzimidazol-2-one
CID 24960852
2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 1236370
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopent-2-en-1-ol
CID 18957483
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one (CID 25133793) is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one is COc1ccc(-c2cn[nH]c(=O)c2)cc1OC1CCCC1.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is BLOQDUIMJMATMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-7-6-11(12-9-16(19)18-17-10-12)8-15(14)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,19).
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one?
4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 286.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 25133793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).