1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone

C17H24O2 — CID 64748296

IUPAC1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone
SMILESCCC1CCC(Oc2ccc(C)cc2C(C)=O)CC1
InChIInChI=1S/C17H24O2/c1-4-14-6-8-15(9-7-14)19-17-10-5-12(2)11-16(17)13(3)18/h5,10-11,14-15H,4,6-9H2,1-3H3
InChIKeyOSEFICMTPHXRGQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.55
Rot. Bonds4

About 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone

1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone (PubChem CID 64748296) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone
PubChem CID64748296
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone
SMILESCCC1CCC(Oc2ccc(C)cc2C(C)=O)CC1
InChIInChI=1S/C17H24O2/c1-4-14-6-8-15(9-7-14)19-17-10-5-12(2)11-16(17)13(3)18/h5,10-11,14-15H,4,6-9H2,1-3H3
InChIKeyOSEFICMTPHXRGQ-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione
CID 146573435
N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine
CID 64747468
N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
CID 77052870
(E)-3-[4-(4-ethylcyclohexyl)oxy-3-fluorophenyl]prop-2-enoic acid
CID 107692338
3-(4-ethylcyclohexyl)oxy-4-methylaniline
CID 64749047
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
CID 117051794
(NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine
CID 82927238
3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 81445886
1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone
CID 162369564
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone (CID 64748296) is 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone is CCC1CCC(Oc2ccc(C)cc2C(C)=O)CC1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone?
The InChIKey is OSEFICMTPHXRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-14-6-8-15(9-7-14)19-17-10-5-12(2)11-16(17)13(3)18/h5,10-11,14-15H,4,6-9H2,1-3H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone?
1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone is sourced from PubChem (CID 64748296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).