5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one

C16H22O2 — CID 23041608

IUPAC5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one
SMILESCCCOc1ccc(C2CCC(C)CC2=O)cc1
InChIInChI=1S/C16H22O2/c1-3-10-18-14-7-5-13(6-8-14)15-9-4-12(2)11-16(15)17/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyOLDPEVNILLJWGC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.95
Rot. Bonds4

About 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one

5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one (PubChem CID 23041608) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one
PubChem CID23041608
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one
SMILESCCCOc1ccc(C2CCC(C)CC2=O)cc1
InChIInChI=1S/C16H22O2/c1-3-10-18-14-7-5-13(6-8-14)15-9-4-12(2)11-16(15)17/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyOLDPEVNILLJWGC-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[4-(4-propoxyphenyl)phenyl]cyclohexan-1-one
CID 23041288
2-[4-(4-butoxyphenyl)phenyl]-5-methylcyclohexan-1-one
CID 23041574
5-methyl-2-[4-(4-nonoxyphenyl)phenyl]cyclohexan-1-one
CID 23041333
trans-(2R,5S)-5-butyl-2-[4-(4-propoxyphenyl)phenyl]cyclohexan-1-one
CID 70371362
trans-(2S,5R)-2-(4-butoxyphenyl)-5-pentylcyclohexan-1-one
CID 54311381
5-methyl-2-(4-propylphenyl)cyclohexan-1-one
CID 23041135
5-ethyl-2-[4-(4-hexoxyphenyl)phenyl]cyclohexan-1-one
CID 23041220
trans-(2R,5S)-2-[4-(4-pentoxyphenyl)phenyl]-5-propylcyclohexan-1-one
CID 70371425
5-methyl-2-(4-pentylphenyl)cyclohexan-1-one
CID 23041298
trans-(2R,5S)-2-[4-(4-hexoxyphenyl)phenyl]-5-propylcyclohexan-1-one
CID 70371331
trans-(2R,5S)-5-butyl-2-[4-(4-heptoxyphenyl)phenyl]cyclohexan-1-one
CID 70371409
2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one
CID 81414984

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one?
The IUPAC name of 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one (CID 23041608) is 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one is CCCOc1ccc(C2CCC(C)CC2=O)cc1.
What is the InChIKey of 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one?
The InChIKey is OLDPEVNILLJWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-10-18-14-7-5-13(6-8-14)15-9-4-12(2)11-16(15)17/h5-8,12,15H,3-4,9-11H2,1-2H3.
What are the key properties of 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one?
5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 23041608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).