3,6-bis(2-hydroxyethoxy)benzene-1,2-diol

C10H14O6 — CID 18513327

IUPAC3,6-bis(2-hydroxyethoxy)benzene-1,2-diol
SMILESOCCOc1ccc(OCCO)c(O)c1O
InChIInChI=1S/C10H14O6/c11-3-5-15-7-1-2-8(16-6-4-12)10(14)9(7)13/h1-2,11-14H,3-6H2
InChIKeyGKZLOEKHKAFWRA-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.16
Rot. Bonds6

About 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol

3,6-bis(2-hydroxyethoxy)benzene-1,2-diol (PubChem CID 18513327) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol.

Molecular Properties

Compound Name3,6-bis(2-hydroxyethoxy)benzene-1,2-diol
PubChem CID18513327
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name3,6-bis(2-hydroxyethoxy)benzene-1,2-diol
SMILESOCCOc1ccc(OCCO)c(O)c1O
InChIInChI=1S/C10H14O6/c11-3-5-15-7-1-2-8(16-6-4-12)10(14)9(7)13/h1-2,11-14H,3-6H2
InChIKeyGKZLOEKHKAFWRA-UHFFFAOYSA-N
XLogP-0.16
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
2-(2,3,4-trifluorophenoxy)ethanol
CID 117051245
2-[8-(2-hydroxyethoxy)naphthalen-1-yl]oxyethanol
CID 21424545
CID 162335780
CID 162335780
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
2-(2-hydroxyethoxy)-3,6-dimethylphenol
CID 130131096
2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 146405993
3-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one
CID 68886642
2-[(2-chloro-6-methyl-3-pyridinyl)oxy]ethanol
CID 130686147
2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol?
The IUPAC name of 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol (CID 18513327) is 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol.
What is the SMILES notation for 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol?
The canonical SMILES for 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol is OCCOc1ccc(OCCO)c(O)c1O.
What is the InChIKey of 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol?
The InChIKey is GKZLOEKHKAFWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c11-3-5-15-7-1-2-8(16-6-4-12)10(14)9(7)13/h1-2,11-14H,3-6H2.
What are the key properties of 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol?
3,6-bis(2-hydroxyethoxy)benzene-1,2-diol has a molecular weight of 230.22 g/mol, XLogP of -0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-hydroxyethoxy)benzene-1,2-diol is sourced from PubChem (CID 18513327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).