5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one

C15H20O4 — CID 22084125

IUPAC5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one
SMILESCc1c(O)cc(CCC2(C)CCC(=O)O2)c(O)c1C
InChIInChI=1S/C15H20O4/c1-9-10(2)14(18)11(8-12(9)16)4-6-15(3)7-5-13(17)19-15/h8,16,18H,4-7H2,1-3H3
InChIKeyLUJNSQMKTVBXJK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.74
Rot. Bonds3

About 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one

5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one (PubChem CID 22084125) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one
PubChem CID22084125
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one
SMILESCc1c(O)cc(CCC2(C)CCC(=O)O2)c(O)c1C
InChIInChI=1S/C15H20O4/c1-9-10(2)14(18)11(8-12(9)16)4-6-15(3)7-5-13(17)19-15/h8,16,18H,4-7H2,1-3H3
InChIKeyLUJNSQMKTVBXJK-UHFFFAOYSA-N
XLogP2.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one?
The IUPAC name of 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one (CID 22084125) is 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one.
What is the SMILES notation for 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one?
The canonical SMILES for 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one is Cc1c(O)cc(CCC2(C)CCC(=O)O2)c(O)c1C.
What is the InChIKey of 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one?
The InChIKey is LUJNSQMKTVBXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-10(2)14(18)11(8-12(9)16)4-6-15(3)7-5-13(17)19-15/h8,16,18H,4-7H2,1-3H3.
What are the key properties of 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one?
5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dihydroxy-3,4-dimethylphenyl)ethyl]-5-methyloxolan-2-one is sourced from PubChem (CID 22084125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).