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

C15H18O3 — CID 79638659

IUPAC3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
SMILESCC(C)Oc1ccc(C(=O)C2CCC(=O)C2)cc1
InChIInChI=1S/C15H18O3/c1-10(2)18-14-7-4-11(5-8-14)15(17)12-3-6-13(16)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3
InChIKeyYHAXMPSFOSMDGB-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.03
Rot. Bonds4

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

3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one (PubChem CID 79638659) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
PubChem CID79638659
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
SMILESCC(C)Oc1ccc(C(=O)C2CCC(=O)C2)cc1
InChIInChI=1S/C15H18O3/c1-10(2)18-14-7-4-11(5-8-14)15(17)12-3-6-13(16)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3
InChIKeyYHAXMPSFOSMDGB-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
3-(4-methylbenzoyl)cyclopentan-1-one
CID 79639548
(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171940602
3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
CID 79638807
(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65393507
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
N-cyclopropyl-N-(4-oxocyclohexyl)-4-propan-2-yloxybenzamide
CID 90370061
3-(3,5-dimethoxybenzoyl)cyclopentan-1-one
CID 79638515
tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
CID 154538792
3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 43339571
tert-butyl 3-(4-propan-2-yloxybenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171940608

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one?
The IUPAC name of 3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one (CID 79638659) is 3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one.
What is the SMILES notation for 3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one?
The canonical SMILES for 3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one is CC(C)Oc1ccc(C(=O)C2CCC(=O)C2)cc1.
What is the InChIKey of 3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one?
The InChIKey is YHAXMPSFOSMDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10(2)18-14-7-4-11(5-8-14)15(17)12-3-6-13(16)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3.
What are the key properties of 3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one?
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one has a molecular weight of 246.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one is sourced from PubChem (CID 79638659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).