3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol

C13H20O2 — CID 88982298

IUPAC3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol
SMILESCCc1ccc(C(C)(C)CC)c(O)c1O
InChIInChI=1S/C13H20O2/c1-5-9-7-8-10(12(15)11(9)14)13(3,4)6-2/h7-8,14-15H,5-6H2,1-4H3
InChIKeyYYMPQPFWSXENJJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.35
Rot. Bonds3

About 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol

3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol (PubChem CID 88982298) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol
PubChem CID88982298
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol
SMILESCCc1ccc(C(C)(C)CC)c(O)c1O
InChIInChI=1S/C13H20O2/c1-5-9-7-8-10(12(15)11(9)14)13(3,4)6-2/h7-8,14-15H,5-6H2,1-4H3
InChIKeyYYMPQPFWSXENJJ-UHFFFAOYSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

Thymol
CID 6989
Tert-Butylhydroquinone
CID 16043
4-tert-Butylcatechol
CID 7381
2,5-Dimethylphenol
CID 7267
Carvacrol
CID 10364
Masoprocol
CID 71398
2,5-Di-tert-butylhydroquinone
CID 2374
Nordihydroguaretic acid
CID 4534
4-Methylcatechol
CID 9958
2,5-Di-t-pentylhydroquinone
CID 6610
3-Methylcatechol
CID 340
6-tert-Butyl-m-cresol
CID 6937

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol?
The IUPAC name of 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol (CID 88982298) is 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol.
What is the SMILES notation for 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol?
The canonical SMILES for 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol is CCc1ccc(C(C)(C)CC)c(O)c1O.
What is the InChIKey of 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol?
The InChIKey is YYMPQPFWSXENJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-9-7-8-10(12(15)11(9)14)13(3,4)6-2/h7-8,14-15H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol?
3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol has a molecular weight of 208.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol is sourced from PubChem (CID 88982298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).