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

C14H14O3 — CID 101299805

IUPAC5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol
SMILESCc1ccc(-c2c(C)c(O)cc(O)c2O)cc1
InChIInChI=1S/C14H14O3/c1-8-3-5-10(6-4-8)13-9(2)11(15)7-12(16)14(13)17/h3-7,15-17H,1-2H3
InChIKeyNXUYUHXWIIGOTH-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.09
Rot. Bonds1

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

5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol (PubChem CID 101299805) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol.

Molecular Properties

Compound Name5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol
PubChem CID101299805
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol
SMILESCc1ccc(-c2c(C)c(O)cc(O)c2O)cc1
InChIInChI=1S/C14H14O3/c1-8-3-5-10(6-4-8)13-9(2)11(15)7-12(16)14(13)17/h3-7,15-17H,1-2H3
InChIKeyNXUYUHXWIIGOTH-UHFFFAOYSA-N
XLogP3.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.09
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

5-methyl-6-phenylbenzene-1,2,4-triol
CID 101299657
3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol
CID 101299485
2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol
CID 139945789
3,4-bis(4-methylphenyl)benzene-1,2-diol
CID 175325124
3-(4-hydroxyphenyl)-2,4,5-trimethylphenol
CID 101299207
5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol
CID 101299529
4-amino-3-methyl-2-(4-methylphenyl)phenol
CID 174668416
2-(4-hydroxyphenyl)-3-methylbenzene-1,4-diol
CID 101299701
4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol
CID 154709162
2,3-bis(4-methylphenyl)phenol
CID 175749747
CID 145029926
CID 145029926
(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone
CID 129087324

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol?
The IUPAC name of 5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol (CID 101299805) is 5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol.
What is the SMILES notation for 5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol?
The canonical SMILES for 5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol is Cc1ccc(-c2c(C)c(O)cc(O)c2O)cc1.
What is the InChIKey of 5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol?
The InChIKey is NXUYUHXWIIGOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-3-5-10(6-4-8)13-9(2)11(15)7-12(16)14(13)17/h3-7,15-17H,1-2H3.
What are the key properties of 5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol?
5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol has a molecular weight of 230.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol is sourced from PubChem (CID 101299805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).