(5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone

C15H20O2 — CID 114975854

IUPAC(5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCC(C)O2)cc1C
InChIInChI=1S/C15H20O2/c1-9-7-11(3)13(8-10(9)2)15(16)14-6-5-12(4)17-14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyWQQVXNPDZHCYIS-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.36
Rot. Bonds2

About (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone

(5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 114975854) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone
PubChem CID114975854
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCC(C)O2)cc1C
InChIInChI=1S/C15H20O2/c1-9-7-11(3)13(8-10(9)2)15(16)14-6-5-12(4)17-14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyWQQVXNPDZHCYIS-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone
CID 81330300
(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone
CID 81329910
(2,5-dichlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanone
CID 81329909
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(5-methyloxolan-2-yl)methanone
CID 81330010
(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
CID 65389610
(2R)-5-methyloxolane-2-carboxylic acid
CID 58055098
(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone
CID 81330105
(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 54428500
cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone
CID 81329803
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 107003910

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone (CID 114975854) is (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCC(C)O2)cc1C.
What is the InChIKey of (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is WQQVXNPDZHCYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-7-11(3)13(8-10(9)2)15(16)14-6-5-12(4)17-14/h7-8,12,14H,5-6H2,1-4H3.
What are the key properties of (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone?
(5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 114975854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).