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

C14H14O3 — CID 101299416

IUPAC2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol
SMILESCc1ccc(O)c(C)c1-c1cc(O)ccc1O
InChIInChI=1S/C14H14O3/c1-8-3-5-12(16)9(2)14(8)11-7-10(15)4-6-13(11)17/h3-7,15-17H,1-2H3
InChIKeyPKFNCTDZEOTWOR-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.09
Rot. Bonds1

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

2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol (PubChem CID 101299416) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol
PubChem CID101299416
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol
SMILESCc1ccc(O)c(C)c1-c1cc(O)ccc1O
InChIInChI=1S/C14H14O3/c1-8-3-5-12(16)9(2)14(8)11-7-10(15)4-6-13(11)17/h3-7,15-17H,1-2H3
InChIKeyPKFNCTDZEOTWOR-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': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol?
The IUPAC name of 2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol (CID 101299416) is 2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol.
What is the SMILES notation for 2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol?
The canonical SMILES for 2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol is Cc1ccc(O)c(C)c1-c1cc(O)ccc1O.
What is the InChIKey of 2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol?
The InChIKey is PKFNCTDZEOTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-3-5-12(16)9(2)14(8)11-7-10(15)4-6-13(11)17/h3-7,15-17H,1-2H3.
What are the key properties of 2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol?
2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-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 2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol is sourced from PubChem (CID 101299416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).