5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one

C12H14O3 — CID 163063625

IUPAC5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one
SMILESCc1ccc(C2(C)CCC(=O)O2)c(O)c1
InChIInChI=1S/C12H14O3/c1-8-3-4-9(10(13)7-8)12(2)6-5-11(14)15-12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyHNFTTYIOFJPHQE-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.25
Rot. Bonds1

About 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one

5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one (PubChem CID 163063625) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one
PubChem CID163063625
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one
SMILESCc1ccc(C2(C)CCC(=O)O2)c(O)c1
InChIInChI=1S/C12H14O3/c1-8-3-4-9(10(13)7-8)12(2)6-5-11(14)15-12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyHNFTTYIOFJPHQE-UHFFFAOYSA-N
XLogP2.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-[(2S)-2-methyl-5-oxooxolan-2-yl]benzoic acid
CID 146684273
5-methyl-5-(3-methylphenyl)oxolan-2-one
CID 10679234
4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol
CID 10683586
5-(2,5-difluorophenyl)-5-methyloxolan-2-one
CID 82113386
2-[(1S,3S)-3-bromo-1,2,2-trimethylcyclopentyl]-5-methylphenol
CID 163191622
5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one
CID 82113766
(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
CID 102352796
2-(2-methyl-3,4-dihydrochromen-2-yl)phenol
CID 134834710
2-(4-chloro-1,3-dimethylcyclohexyl)-5-methylphenol
CID 23427410
4-methyl-2-(2,4,4,6-tetramethyl-3H-chromen-2-yl)phenol
CID 10891786
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one
CID 142087326

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one?
The IUPAC name of 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one (CID 163063625) is 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one is Cc1ccc(C2(C)CCC(=O)O2)c(O)c1.
What is the InChIKey of 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one?
The InChIKey is HNFTTYIOFJPHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-3-4-9(10(13)7-8)12(2)6-5-11(14)15-12/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one?
5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one has a molecular weight of 206.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one is sourced from PubChem (CID 163063625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).