2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

C17H24O2 — CID 114622364

IUPAC2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCc1ccccc1CC(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H24O2/c1-12-8-6-7-9-13(12)10-15(18)14-11-16(2,3)19-17(14,4)5/h6-9,14H,10-11H2,1-5H3
InChIKeySJKDPFWBQAEPCY-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.70
Rot. Bonds3

About 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (PubChem CID 114622364) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
PubChem CID114622364
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCc1ccccc1CC(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H24O2/c1-12-8-6-7-9-13(12)10-15(18)14-11-16(2,3)19-17(14,4)5/h6-9,14H,10-11H2,1-5H3
InChIKeySJKDPFWBQAEPCY-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622360
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 114622374
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
1-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-one
CID 114622545
[2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105208446
2-(2-methylphenyl)acetic acid
CID 67440217
(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115813985
2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 99851999
6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane
CID 70490295
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919
1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
CID 116584924

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (CID 114622364) is 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is Cc1ccccc1CC(=O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The InChIKey is SJKDPFWBQAEPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-8-6-7-9-13(12)10-15(18)14-11-16(2,3)19-17(14,4)5/h6-9,14H,10-11H2,1-5H3.
What are the key properties of 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is sourced from PubChem (CID 114622364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).