4-(4-hydroxyphenyl)-4-methyloxolan-2-one

C11H12O3 — CID 105445803

IUPAC4-(4-hydroxyphenyl)-4-methyloxolan-2-one
SMILESCC1(c2ccc(O)cc2)COC(=O)C1
InChIInChI=1S/C11H12O3/c1-11(6-10(13)14-7-11)8-2-4-9(12)5-3-8/h2-5,12H,6-7H2,1H3
InChIKeyVMQALPOKTNTKGV-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.60
Rot. Bonds1

About 4-(4-hydroxyphenyl)-4-methyloxolan-2-one

4-(4-hydroxyphenyl)-4-methyloxolan-2-one (PubChem CID 105445803) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-4-methyloxolan-2-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-4-methyloxolan-2-one
PubChem CID105445803
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-(4-hydroxyphenyl)-4-methyloxolan-2-one
SMILESCC1(c2ccc(O)cc2)COC(=O)C1
InChIInChI=1S/C11H12O3/c1-11(6-10(13)14-7-11)8-2-4-9(12)5-3-8/h2-5,12H,6-7H2,1H3
InChIKeyVMQALPOKTNTKGV-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)ethanone;4-(1-methylcyclopropyl)phenol
CID 161486309
5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one
CID 105475789
4-methyl-4-[4-(1-methyl-3,5-dioxocyclohexyl)phenyl]oxane-2,6-dione
CID 89182206
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one
CID 143195353
CID 101224748
CID 101224748
CID 101083637
CID 101083637
ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol
CID 143787682
5-(3-hydroxyphenyl)-5-methyl-1,3-oxazinan-2-one
CID 105460096
4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol
CID 166817509
7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one
CID 151514268
4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one
CID 105458768
4-[(2R)-2-amino-1-methylcyclopropyl]phenol
CID 105432218

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-4-methyloxolan-2-one?
The IUPAC name of 4-(4-hydroxyphenyl)-4-methyloxolan-2-one (CID 105445803) is 4-(4-hydroxyphenyl)-4-methyloxolan-2-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-4-methyloxolan-2-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-4-methyloxolan-2-one is CC1(c2ccc(O)cc2)COC(=O)C1.
What is the InChIKey of 4-(4-hydroxyphenyl)-4-methyloxolan-2-one?
The InChIKey is VMQALPOKTNTKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-11(6-10(13)14-7-11)8-2-4-9(12)5-3-8/h2-5,12H,6-7H2,1H3.
What are the key properties of 4-(4-hydroxyphenyl)-4-methyloxolan-2-one?
4-(4-hydroxyphenyl)-4-methyloxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-4-methyloxolan-2-one is sourced from PubChem (CID 105445803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).