3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one

C18H24O3 — CID 67815277

IUPAC3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one
SMILESCOc1ccccc1C1CC(=O)C(C)C1OC1CCCC1
InChIInChI=1S/C18H24O3/c1-12-16(19)11-15(14-9-5-6-10-17(14)20-2)18(12)21-13-7-3-4-8-13/h5-6,9-10,12-13,15,18H,3-4,7-8,11H2,1-2H3
InChIKeyUZAFWPGPMNXIOO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.72
Rot. Bonds4

About 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one

3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one (PubChem CID 67815277) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one
PubChem CID67815277
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one
SMILESCOc1ccccc1C1CC(=O)C(C)C1OC1CCCC1
InChIInChI=1S/C18H24O3/c1-12-16(19)11-15(14-9-5-6-10-17(14)20-2)18(12)21-13-7-3-4-8-13/h5-6,9-10,12-13,15,18H,3-4,7-8,11H2,1-2H3
InChIKeyUZAFWPGPMNXIOO-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one?
The IUPAC name of 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one (CID 67815277) is 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one is COc1ccccc1C1CC(=O)C(C)C1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one?
The InChIKey is UZAFWPGPMNXIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-12-16(19)11-15(14-9-5-6-10-17(14)20-2)18(12)21-13-7-3-4-8-13/h5-6,9-10,12-13,15,18H,3-4,7-8,11H2,1-2H3.
What are the key properties of 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one?
3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one has a molecular weight of 288.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-4-(2-methoxyphenyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 67815277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).