3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol

C15H16O3 — CID 101299485

IUPAC3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol
SMILESCc1ccc(-c2c(C)c(O)c(C)c(O)c2O)cc1
InChIInChI=1S/C15H16O3/c1-8-4-6-11(7-5-8)12-9(2)13(16)10(3)14(17)15(12)18/h4-7,16-18H,1-3H3
InChIKeyHCTPVAIYDINIDF-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

About 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol

3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol (PubChem CID 101299485) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol.

Molecular Properties

Compound Name3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol
PubChem CID101299485
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol
SMILESCc1ccc(-c2c(C)c(O)c(C)c(O)c2O)cc1
InChIInChI=1S/C15H16O3/c1-8-4-6-11(7-5-8)12-9(2)13(16)10(3)14(17)15(12)18/h4-7,16-18H,1-3H3
InChIKeyHCTPVAIYDINIDF-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol
CID 139945789
5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol
CID 101299805
3-[4-(3,5-dimethylanilino)phenyl]-6-methylbenzene-1,2,4,5-tetrol
CID 145442391
CID 145029926
CID 145029926
4-amino-3-methyl-2-(4-methylphenyl)phenol
CID 174668416
3,4-bis(4-methylphenyl)benzene-1,2-diol
CID 175325124
4-methylphenol
CID 70549076
1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene
CID 174243860
2,3-bis(4-methylphenyl)phenol
CID 175749747
ethane;6-[3-methyl-5-(2,3,4,5,6-pentahydroxyphenyl)phenyl]benzene-1,2,3,4,5-pentol
CID 142352741
ethane;4-(4-methylphenyl)phenol
CID 161379556
3,4-bis(4-methylphenyl)cyclobut-3-ene-1,2-dione
CID 15312557

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol?
The IUPAC name of 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol (CID 101299485) is 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol.
What is the SMILES notation for 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol?
The canonical SMILES for 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol is Cc1ccc(-c2c(C)c(O)c(C)c(O)c2O)cc1.
What is the InChIKey of 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol?
The InChIKey is HCTPVAIYDINIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-4-6-11(7-5-8)12-9(2)13(16)10(3)14(17)15(12)18/h4-7,16-18H,1-3H3.
What are the key properties of 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol?
3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol 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 3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol is sourced from PubChem (CID 101299485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).