4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol

C14H14O4 — CID 173290740

IUPAC4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol
SMILESCc1cc(-c2ccc(O)c(O)c2O)c(C)cc1O
InChIInChI=1S/C14H14O4/c1-7-6-12(16)8(2)5-10(7)9-3-4-11(15)14(18)13(9)17/h3-6,15-18H,1-2H3
InChIKeyBMQNYXPEVCSNJI-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.79
Rot. Bonds1

About 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol

4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol (PubChem CID 173290740) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol
PubChem CID173290740
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol
SMILESCc1cc(-c2ccc(O)c(O)c2O)c(C)cc1O
InChIInChI=1S/C14H14O4/c1-7-6-12(16)8(2)5-10(7)9-3-4-11(15)14(18)13(9)17/h3-6,15-18H,1-2H3
InChIKeyBMQNYXPEVCSNJI-UHFFFAOYSA-N
XLogP2.79
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane
CID 157471030
4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol
CID 101299553
5-(2-hydroxy-3-methylphenyl)-2,4-dimethylphenol
CID 101299293
4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol
CID 143802761
4-[(4-hydroxy-2,5-dimethylphenyl)methyl]benzene-1,2,3-triol
CID 18366423
4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
CID 87697352
4-(2,4,5-triethylphenyl)benzene-1,2,3-triol
CID 101303385
3,4-bis(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 151204371
3,6-bis(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzene-1,2-diol;3,6-bis(4-hydroxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diol
CID 129206149
benzene-1,2,3,4-tetrol;methanol
CID 174976921
2,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298799
4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol
CID 123751575

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol?
The IUPAC name of 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol (CID 173290740) is 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol.
What is the SMILES notation for 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol?
The canonical SMILES for 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol is Cc1cc(-c2ccc(O)c(O)c2O)c(C)cc1O.
What is the InChIKey of 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol?
The InChIKey is BMQNYXPEVCSNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-7-6-12(16)8(2)5-10(7)9-3-4-11(15)14(18)13(9)17/h3-6,15-18H,1-2H3.
What are the key properties of 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol?
4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol has a molecular weight of 246.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol is sourced from PubChem (CID 173290740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).