2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol

C15H22O2 — CID 11356756

IUPAC2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol
SMILESCc1cc(O)c(C2(C)CCCC2(C)C)cc1O
InChIInChI=1S/C15H22O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8-9,16-17H,5-7H2,1-4H3
InChIKeyGDVVPXPJALHXQC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.87
Rot. Bonds1

About 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol

2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol (PubChem CID 11356756) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol
PubChem CID11356756
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol
SMILESCc1cc(O)c(C2(C)CCCC2(C)C)cc1O
InChIInChI=1S/C15H22O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8-9,16-17H,5-7H2,1-4H3
InChIKeyGDVVPXPJALHXQC-UHFFFAOYSA-N
XLogP3.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thymol
CID 6989
Butylated Hydroxyanisole
CID 8456
Tert-Butylhydroquinone
CID 16043
2,5-Dimethylphenol
CID 7267
Carvacrol
CID 10364
2,5-Di-tert-butylhydroquinone
CID 2374
Methylhydroquinone
CID 7253
2,5-Di-t-pentylhydroquinone
CID 6610
6-tert-Butyl-m-cresol
CID 6937
2-Tert-Butylphenol
CID 6923
Phenylhydroquinone
CID 14116
Trimethylhydroquinone
CID 12785

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol?
The IUPAC name of 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol (CID 11356756) is 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol.
What is the SMILES notation for 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol?
The canonical SMILES for 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol is Cc1cc(O)c(C2(C)CCCC2(C)C)cc1O.
What is the InChIKey of 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol?
The InChIKey is GDVVPXPJALHXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8-9,16-17H,5-7H2,1-4H3.
What are the key properties of 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol?
2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol has a molecular weight of 234.34 g/mol, XLogP of 3.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol is sourced from PubChem (CID 11356756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).