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

C16H22O — CID 23041135

IUPAC5-methyl-2-(4-propylphenyl)cyclohexan-1-one
SMILESCCCc1ccc(C2CCC(C)CC2=O)cc1
InChIInChI=1S/C16H22O/c1-3-4-13-6-8-14(9-7-13)15-10-5-12(2)11-16(15)17/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyNYWCDKOBDZJBRN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.11
Rot. Bonds3

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

5-methyl-2-(4-propylphenyl)cyclohexan-1-one (PubChem CID 23041135) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-methyl-2-(4-propylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-(4-propylphenyl)cyclohexan-1-one
PubChem CID23041135
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name5-methyl-2-(4-propylphenyl)cyclohexan-1-one
SMILESCCCc1ccc(C2CCC(C)CC2=O)cc1
InChIInChI=1S/C16H22O/c1-3-4-13-6-8-14(9-7-13)15-10-5-12(2)11-16(15)17/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyNYWCDKOBDZJBRN-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-propylphenyl)cyclohexan-1-one?
The IUPAC name of 5-methyl-2-(4-propylphenyl)cyclohexan-1-one (CID 23041135) is 5-methyl-2-(4-propylphenyl)cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-(4-propylphenyl)cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-(4-propylphenyl)cyclohexan-1-one is CCCc1ccc(C2CCC(C)CC2=O)cc1.
What is the InChIKey of 5-methyl-2-(4-propylphenyl)cyclohexan-1-one?
The InChIKey is NYWCDKOBDZJBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-4-13-6-8-14(9-7-13)15-10-5-12(2)11-16(15)17/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 5-methyl-2-(4-propylphenyl)cyclohexan-1-one?
5-methyl-2-(4-propylphenyl)cyclohexan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-propylphenyl)cyclohexan-1-one is sourced from PubChem (CID 23041135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).