1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone

C18H26O2 — CID 116747686

IUPAC1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C18H26O2/c1-5-20-18(8-6-7-9-18)17(19)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3
InChIKeyREXKRDBJXFYSAL-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.07
Rot. Bonds5

About 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone

1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 116747686) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID116747686
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C18H26O2/c1-5-20-18(8-6-7-9-18)17(19)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3
InChIKeyREXKRDBJXFYSAL-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate
CID 67668185
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748406
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
1-(1-ethoxycycloheptyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116750853
2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone
CID 116750764
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
methyl 2-[1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cycloheptyl]acetate
CID 22124271

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 116747686) is 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone is CCOC1(C(=O)Cc2c(C)cc(C)cc2C)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is REXKRDBJXFYSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-20-18(8-6-7-9-18)17(19)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 274.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 116747686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).