3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one

C18H26O — CID 113319049

IUPAC3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)CCC2CCCC2)cc1CC
InChIInChI=1S/C18H26O/c1-3-15-10-11-17(13-16(15)4-2)18(19)12-9-14-7-5-6-8-14/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyMOWCCIDQMXCRHK-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.96
Rot. Bonds6

About 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one

3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one (PubChem CID 113319049) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
PubChem CID113319049
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)CCC2CCCC2)cc1CC
InChIInChI=1S/C18H26O/c1-3-15-10-11-17(13-16(15)4-2)18(19)12-9-14-7-5-6-8-14/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyMOWCCIDQMXCRHK-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one (CID 113319049) is 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one is CCc1ccc(C(=O)CCC2CCCC2)cc1CC.
What is the InChIKey of 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one?
The InChIKey is MOWCCIDQMXCRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-3-15-10-11-17(13-16(15)4-2)18(19)12-9-14-7-5-6-8-14/h10-11,13-14H,3-9,12H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one?
3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one has a molecular weight of 258.40 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one is sourced from PubChem (CID 113319049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).