2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol

C15H16O3 — CID 101299624

IUPAC2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol
SMILESCc1cc(C)c(-c2cc(O)ccc2O)c(C)c1O
InChIInChI=1S/C15H16O3/c1-8-6-9(2)15(18)10(3)14(8)12-7-11(16)4-5-13(12)17/h4-7,16-18H,1-3H3
InChIKeyJYVQAJNEDOWESB-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

About 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol

2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol (PubChem CID 101299624) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol
PubChem CID101299624
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol
SMILESCc1cc(C)c(-c2cc(O)ccc2O)c(C)c1O
InChIInChI=1S/C15H16O3/c1-8-6-9(2)15(18)10(3)14(8)12-7-11(16)4-5-13(12)17/h4-7,16-18H,1-3H3
InChIKeyJYVQAJNEDOWESB-UHFFFAOYSA-N
XLogP3.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-Butylhydroquinone
CID 16043
Magnolol
CID 72300
2,5-Di-tert-butylhydroquinone
CID 2374
Honokiol
CID 72303
Tapinarof
CID 6439522
9-Phenanthrol
CID 10229
2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
CID 6928
2,2'-Methylenebis(4-methyl-6-tert-butylphenol)
CID 8398
CP-55940
CID 104895
1,4-Naphthalenediol
CID 11305
Bisphenol C
CID 6620
Phenylhydroquinone
CID 14116

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol?
The IUPAC name of 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol (CID 101299624) is 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol.
What is the SMILES notation for 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol?
The canonical SMILES for 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol is Cc1cc(C)c(-c2cc(O)ccc2O)c(C)c1O.
What is the InChIKey of 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol?
The InChIKey is JYVQAJNEDOWESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-6-9(2)15(18)10(3)14(8)12-7-11(16)4-5-13(12)17/h4-7,16-18H,1-3H3.
What are the key properties of 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol?
2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol has a molecular weight of 244.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol is sourced from PubChem (CID 101299624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).