1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone

C16H22O2 — CID 114968400

IUPAC1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2CCOC2C)cc1
InChIInChI=1S/C16H22O2/c1-11(2)14-6-4-13(5-7-14)10-16(17)15-8-9-18-12(15)3/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeyBMGJPHKMIMJDBJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone

1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 114968400) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID114968400
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2CCOC2C)cc1
InChIInChI=1S/C16H22O2/c1-11(2)14-6-4-13(5-7-14)10-16(17)15-8-9-18-12(15)3/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeyBMGJPHKMIMJDBJ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114241844
1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116579990
1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975728
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 79758315
2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 106865766
2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 79759578
4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one
CID 114966793
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 107764229
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 171941294
1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
CID 65409288
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone (CID 114968400) is 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)C2CCOC2C)cc1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is BMGJPHKMIMJDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11(2)14-6-4-13(5-7-14)10-16(17)15-8-9-18-12(15)3/h4-7,11-12,15H,8-10H2,1-3H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 114968400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).