3-(4-propan-2-ylphenyl)cyclopentan-1-one

C14H18O — CID 64519954

IUPAC3-(4-propan-2-ylphenyl)cyclopentan-1-one
SMILESCC(C)c1ccc(C2CCC(=O)C2)cc1
InChIInChI=1S/C14H18O/c1-10(2)11-3-5-12(6-4-11)13-7-8-14(15)9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyJJWAANIKVCBLCG-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.65
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)cyclopentan-1-one

3-(4-propan-2-ylphenyl)cyclopentan-1-one (PubChem CID 64519954) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)cyclopentan-1-one
PubChem CID64519954
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-(4-propan-2-ylphenyl)cyclopentan-1-one
SMILESCC(C)c1ccc(C2CCC(=O)C2)cc1
InChIInChI=1S/C14H18O/c1-10(2)11-3-5-12(6-4-11)13-7-8-14(15)9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyJJWAANIKVCBLCG-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)cyclopentan-1-one?
The IUPAC name of 3-(4-propan-2-ylphenyl)cyclopentan-1-one (CID 64519954) is 3-(4-propan-2-ylphenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)cyclopentan-1-one?
The canonical SMILES for 3-(4-propan-2-ylphenyl)cyclopentan-1-one is CC(C)c1ccc(C2CCC(=O)C2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)cyclopentan-1-one?
The InChIKey is JJWAANIKVCBLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10(2)11-3-5-12(6-4-11)13-7-8-14(15)9-13/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)cyclopentan-1-one?
3-(4-propan-2-ylphenyl)cyclopentan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)cyclopentan-1-one is sourced from PubChem (CID 64519954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).