3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one

C17H22O4 — CID 23298807

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one
SMILESCOc1ccc(C2(CO)CC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H22O4/c1-20-15-7-6-12(17(11-18)9-13(19)10-17)8-16(15)21-14-4-2-3-5-14/h6-8,14,18H,2-5,9-11H2,1H3
InChIKeyVRLZMMNLOLYWLX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.61
Rot. Bonds5

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one

3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one (PubChem CID 23298807) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one
PubChem CID23298807
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one
SMILESCOc1ccc(C2(CO)CC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H22O4/c1-20-15-7-6-12(17(11-18)9-13(19)10-17)8-16(15)21-14-4-2-3-5-14/h6-8,14,18H,2-5,9-11H2,1H3
InChIKeyVRLZMMNLOLYWLX-UHFFFAOYSA-N
XLogP2.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
CID 117469213
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxocyclohexyl]prop-2-ynoic acid
CID 15406839
1-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxocyclohexane-1-carbaldehyde
CID 10495633
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
CID 154535456
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-phenylethynyl)cyclohexan-1-one
CID 15392008
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dioxoinden-2-yl]butanoic acid
CID 67628934
2-cyclobutyloxy-4-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 117463743
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
2-cyclopentyloxy-4-(1-isocyanatocyclobutyl)-1-methoxybenzene
CID 117463719

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one (CID 23298807) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one is COc1ccc(C2(CO)CC(=O)C2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one?
The InChIKey is VRLZMMNLOLYWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-20-15-7-6-12(17(11-18)9-13(19)10-17)8-16(15)21-14-4-2-3-5-14/h6-8,14,18H,2-5,9-11H2,1H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one?
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one has a molecular weight of 290.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one is sourced from PubChem (CID 23298807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).