2-cyclohexyl-1-(4-propoxyphenyl)ethanone

C17H24O2 — CID 12505088

IUPAC2-cyclohexyl-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CC2CCCCC2)cc1
InChIInChI=1S/C17H24O2/c1-2-12-19-16-10-8-15(9-11-16)17(18)13-14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3
InChIKeyFXBQAKZGCZBGBX-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.63
Rot. Bonds6

About 2-cyclohexyl-1-(4-propoxyphenyl)ethanone

2-cyclohexyl-1-(4-propoxyphenyl)ethanone (PubChem CID 12505088) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-propoxyphenyl)ethanone
PubChem CID12505088
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-cyclohexyl-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CC2CCCCC2)cc1
InChIInChI=1S/C17H24O2/c1-2-12-19-16-10-8-15(9-11-16)17(18)13-14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3
InChIKeyFXBQAKZGCZBGBX-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
CID 114425653
N-cyclohexyl-4-propoxybenzamide
CID 4938429
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
CID 116591254
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one
CID 3609295
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
N-(4-butoxyphenyl)-2-cyclopentylacetamide
CID 54786143
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-propoxyphenyl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(4-propoxyphenyl)ethanone (CID 12505088) is 2-cyclohexyl-1-(4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(4-propoxyphenyl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)CC2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-1-(4-propoxyphenyl)ethanone?
The InChIKey is FXBQAKZGCZBGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-12-19-16-10-8-15(9-11-16)17(18)13-14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3.
What are the key properties of 2-cyclohexyl-1-(4-propoxyphenyl)ethanone?
2-cyclohexyl-1-(4-propoxyphenyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-propoxyphenyl)ethanone is sourced from PubChem (CID 12505088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).