2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone

C15H20O2 — CID 79759578

IUPAC2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)C2CCOC2C)c1
InChIInChI=1S/C15H20O2/c1-10-4-5-11(2)13(8-10)9-15(16)14-6-7-17-12(14)3/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyRJXAHQOKYYQPHW-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.84
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone

2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone (PubChem CID 79759578) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
PubChem CID79759578
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)C2CCOC2C)c1
InChIInChI=1S/C15H20O2/c1-10-4-5-11(2)13(8-10)9-15(16)14-6-7-17-12(14)3/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyRJXAHQOKYYQPHW-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 106865766
2-(2-bromo-5-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 114973642
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
1-(2,5-dimethylphenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543612
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 79758315
2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone
CID 116547886
(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970867
1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968400
3-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2-methyloxolane
CID 79762752
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide
CID 79750828

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone (CID 79759578) is 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone is Cc1ccc(C)c(CC(=O)C2CCOC2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone?
The InChIKey is RJXAHQOKYYQPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-4-5-11(2)13(8-10)9-15(16)14-6-7-17-12(14)3/h4-5,8,12,14H,6-7,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone?
2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone has a molecular weight of 232.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 79759578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).