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

C14H14O3 — CID 101299442

IUPAC4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol
SMILESCc1ccc(C)c(-c2ccc(O)c(O)c2)c1O
InChIInChI=1S/C14H14O3/c1-8-3-4-9(2)14(17)13(8)10-5-6-11(15)12(16)7-10/h3-7,15-17H,1-2H3
InChIKeyKNUFTDNXFQPXOR-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.09
Rot. Bonds1

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

4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol (PubChem CID 101299442) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol
PubChem CID101299442
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol
SMILESCc1ccc(C)c(-c2ccc(O)c(O)c2)c1O
InChIInChI=1S/C14H14O3/c1-8-3-4-9(2)14(17)13(8)10-5-6-11(15)12(16)7-10/h3-7,15-17H,1-2H3
InChIKeyKNUFTDNXFQPXOR-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'}

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Related Compounds

4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol
CID 101299642
2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol
CID 101299706
ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 174407562
2-(4-chlorophenyl)-3,6-dimethylphenol
CID 102112254
2-(2-hydroxy-3,6-dimethylphenyl)benzene-1,4-diol
CID 101299410
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303274
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-(3,4-dimethylphenyl)benzene-1,2,3-triol
CID 101299815
2-(2-hydroxyphenyl)-3,6-dimethylphenol
CID 101298934
5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 101299097

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol?
The IUPAC name of 4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol (CID 101299442) is 4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol?
The canonical SMILES for 4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol is Cc1ccc(C)c(-c2ccc(O)c(O)c2)c1O.
What is the InChIKey of 4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol?
The InChIKey is KNUFTDNXFQPXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-3-4-9(2)14(17)13(8)10-5-6-11(15)12(16)7-10/h3-7,15-17H,1-2H3.
What are the key properties of 4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol?
4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol 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 4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol is sourced from PubChem (CID 101299442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).