1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one

C16H22O — CID 115792473

IUPAC1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
SMILESCc1cccc(C)c1CC(=O)CC1CCCC1
InChIInChI=1S/C16H22O/c1-12-6-5-7-13(2)16(12)11-15(17)10-14-8-3-4-9-14/h5-7,14H,3-4,8-11H2,1-2H3
InChIKeyLGSRFCHWZPQDET-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.00
Rot. Bonds4

About 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one

1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one (PubChem CID 115792473) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
PubChem CID115792473
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
SMILESCc1cccc(C)c1CC(=O)CC1CCCC1
InChIInChI=1S/C16H22O/c1-12-6-5-7-13(2)16(12)11-15(17)10-14-8-3-4-9-14/h5-7,14H,3-4,8-11H2,1-2H3
InChIKeyLGSRFCHWZPQDET-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
1-(2,6-dimethylphenyl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105123439
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215
1-cyclobutyl-4-(2-methylphenyl)butan-2-one
CID 105102936
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095879
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid
CID 120684687
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
1-cyclobutyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66096093

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one?
The IUPAC name of 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one (CID 115792473) is 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one is Cc1cccc(C)c1CC(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one?
The InChIKey is LGSRFCHWZPQDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-6-5-7-13(2)16(12)11-15(17)10-14-8-3-4-9-14/h5-7,14H,3-4,8-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one?
1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one has a molecular weight of 230.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one is sourced from PubChem (CID 115792473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).