2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone

C18H26O2 — CID 116748329

IUPAC2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(C)c(C)c2)CCCCC1
InChIInChI=1S/C18H26O2/c1-4-20-18(10-6-5-7-11-18)17(19)13-16-9-8-14(2)15(3)12-16/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKeySRRIVKVOYUUMPH-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.15
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone

2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone (PubChem CID 116748329) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
PubChem CID116748329
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(C)c(C)c2)CCCCC1
InChIInChI=1S/C18H26O2/c1-4-20-18(10-6-5-7-11-18)17(19)13-16-9-8-14(2)15(3)12-16/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKeySRRIVKVOYUUMPH-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748406
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447700
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116747686
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667
2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone
CID 116750764
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
1-[1-(aminomethyl)cyclohexyl]-3-(3,4-dimethylphenyl)propan-2-one
CID 116614430

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone (CID 116748329) is 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone is CCOC1(C(=O)Cc2ccc(C)c(C)c2)CCCCC1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone?
The InChIKey is SRRIVKVOYUUMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-20-18(10-6-5-7-11-18)17(19)13-16-9-8-14(2)15(3)12-16/h8-9,12H,4-7,10-11,13H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone?
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone has a molecular weight of 274.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone is sourced from PubChem (CID 116748329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).