1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone

C16H22O — CID 61482005

IUPAC1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22O/c1-12-8-9-13(2)15(10-12)11-16(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyGNPBARBUYOLVEB-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.00
Rot. Bonds3

About 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone

1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone (PubChem CID 61482005) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
PubChem CID61482005
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22O/c1-12-8-9-13(2)15(10-12)11-16(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyGNPBARBUYOLVEB-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone
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1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322
1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one
CID 65139678
tert-butyl 3-[2-(2,5-dimethylphenyl)acetyl]pyrrolidine-1-carboxylate
CID 107091898
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 79759578
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone (CID 61482005) is 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is GNPBARBUYOLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-8-9-13(2)15(10-12)11-16(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone?
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 230.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 61482005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).