5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one

C17H24O2 — CID 2838181

IUPAC5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one
SMILESCCCC1CCC(c2ccc(OCC)cc2)CC1=O
InChIInChI=1S/C17H24O2/c1-3-5-14-6-7-15(12-17(14)18)13-8-10-16(11-9-13)19-4-2/h8-11,14-15H,3-7,12H2,1-2H3
InChIKeyZFRNVWPUBWKANZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.34
Rot. Bonds5

About 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one

5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one (PubChem CID 2838181) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one
PubChem CID2838181
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one
SMILESCCCC1CCC(c2ccc(OCC)cc2)CC1=O
InChIInChI=1S/C17H24O2/c1-3-5-14-6-7-15(12-17(14)18)13-8-10-16(11-9-13)19-4-2/h8-11,14-15H,3-7,12H2,1-2H3
InChIKeyZFRNVWPUBWKANZ-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(2S,5S)-5-(4-ethoxyphenyl)-2-pentylcyclohexan-1-one
CID 139641241
1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene
CID 22857790
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
(2S,3S)-2-[4-(4-ethoxyphenyl)cyclohexyl]-3-propyloxirane
CID 54232231
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
4-(4-ethoxyphenyl)piperidine
CID 21495191
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
4-[4-(4-hexoxyphenyl)phenyl]-1-[(1R,4R)-3-oxo-4-propylcyclohexyl]cyclohexane-1-carbonitrile
CID 70371383
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
1-(4-butylcyclohexyl)-4-[2-(4-ethoxyphenyl)ethynyl]benzene
CID 23391128

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one?
The IUPAC name of 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one (CID 2838181) is 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one?
The canonical SMILES for 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one is CCCC1CCC(c2ccc(OCC)cc2)CC1=O.
What is the InChIKey of 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one?
The InChIKey is ZFRNVWPUBWKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-5-14-6-7-15(12-17(14)18)13-8-10-16(11-9-13)19-4-2/h8-11,14-15H,3-7,12H2,1-2H3.
What are the key properties of 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one?
5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one is sourced from PubChem (CID 2838181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).