3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one

C17H22O3 — CID 18957476

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one
SMILESCOc1ccc(C2CCC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H22O3/c1-19-16-9-7-13(12-6-8-14(18)10-12)11-17(16)20-15-4-2-3-5-15/h7,9,11-12,15H,2-6,8,10H2,1H3
InChIKeyNJIBWEPWTWDEJU-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.85
Rot. Bonds4

About 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one

3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one (PubChem CID 18957476) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one
PubChem CID18957476
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one
SMILESCOc1ccc(C2CCC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H22O3/c1-19-16-9-7-13(12-6-8-14(18)10-12)11-17(16)20-15-4-2-3-5-15/h7,9,11-12,15H,2-6,8,10H2,1H3
InChIKeyNJIBWEPWTWDEJU-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one (CID 18957476) is 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one is COc1ccc(C2CCC(=O)C2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one?
The InChIKey is NJIBWEPWTWDEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-19-16-9-7-13(12-6-8-14(18)10-12)11-17(16)20-15-4-2-3-5-15/h7,9,11-12,15H,2-6,8,10H2,1H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one?
3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one has a molecular weight of 274.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentan-1-one is sourced from PubChem (CID 18957476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).