1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one

C17H24O2 — CID 115495306

IUPAC1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
SMILESCCC1CCCC(Oc2ccc(CC(C)=O)cc2)C1
InChIInChI=1S/C17H24O2/c1-3-14-5-4-6-17(12-14)19-16-9-7-15(8-10-16)11-13(2)18/h7-10,14,17H,3-6,11-12H2,1-2H3
InChIKeyWWRRXFDXXZIJHW-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.17
Rot. Bonds5

About 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one

1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one (PubChem CID 115495306) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
PubChem CID115495306
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
SMILESCCC1CCCC(Oc2ccc(CC(C)=O)cc2)C1
InChIInChI=1S/C17H24O2/c1-3-14-5-4-6-17(12-14)19-16-9-7-15(8-10-16)11-13(2)18/h7-10,14,17H,3-6,11-12H2,1-2H3
InChIKeyWWRRXFDXXZIJHW-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one
CID 115495273
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
CID 107669082
1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen
CID 142407732
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
1-[5-(3-ethylcyclohexyl)oxy-2-nitrophenyl]ethanone
CID 104613853
3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
CID 82161370
methyl (E)-2-[(4-cyclopentyloxyphenyl)methyl]-3,4-dimethylpent-2-enoate
CID 159801557
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827
5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
CID 103201492
1-cyclobutyloxy-4-propylbenzene
CID 178141621

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one?
The IUPAC name of 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one (CID 115495306) is 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one.
What is the SMILES notation for 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one?
The canonical SMILES for 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one is CCC1CCCC(Oc2ccc(CC(C)=O)cc2)C1.
What is the InChIKey of 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one?
The InChIKey is WWRRXFDXXZIJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-14-5-4-6-17(12-14)19-16-9-7-15(8-10-16)11-13(2)18/h7-10,14,17H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one?
1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one has a molecular weight of 260.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one is sourced from PubChem (CID 115495306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).