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

C15H16O3 — CID 101299642

IUPAC4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol
SMILESCc1cc(O)c(-c2ccc(O)c(O)c2)c(C)c1C
InChIInChI=1S/C15H16O3/c1-8-6-14(18)15(10(3)9(8)2)11-4-5-12(16)13(17)7-11/h4-7,16-18H,1-3H3
InChIKeyGDUTUZXBWKBERA-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

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

4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol (PubChem CID 101299642) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol
PubChem CID101299642
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol
SMILESCc1cc(O)c(-c2ccc(O)c(O)c2)c(C)c1C
InChIInChI=1S/C15H16O3/c1-8-6-14(18)15(10(3)9(8)2)11-4-5-12(16)13(17)7-11/h4-7,16-18H,1-3H3
InChIKeyGDUTUZXBWKBERA-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'}

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Related Compounds

5-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299652
4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol
CID 101299442
2-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299632
ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 174407562
1-(6-hydroxy-2,3,4-trimethylphenyl)-7-methylnaphthalen-2-ol
CID 147166844
2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
CID 101299580
4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol
CID 101299034
3-(4-hydroxyphenyl)-2,4,5-trimethylphenol
CID 101299207
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol
CID 101299529
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol?
The IUPAC name of 4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol (CID 101299642) is 4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol.
What is the SMILES notation for 4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol?
The canonical SMILES for 4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol is Cc1cc(O)c(-c2ccc(O)c(O)c2)c(C)c1C.
What is the InChIKey of 4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol?
The InChIKey is GDUTUZXBWKBERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-6-14(18)15(10(3)9(8)2)11-4-5-12(16)13(17)7-11/h4-7,16-18H,1-3H3.
What are the key properties of 4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol?
4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-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 4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol is sourced from PubChem (CID 101299642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).