2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol

C16H22O7 — CID 70186106

IUPAC2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol
SMILESOC(O)COCC(O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C4H10O5/c2*7-6-4-2-1-3-5-6;5-3(6)1-9-2-4(7)8/h2*1-5,7H;3-8H,1-2H2
InChIKeyGODJJUROYPFYNF-UHFFFAOYSA-N
MW326.34 g/mol
LogP0.41
Rot. Bonds4

About 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol

2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol (PubChem CID 70186106) has the molecular formula C16H22O7 and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol.

Molecular Properties

Compound Name2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol
PubChem CID70186106
Molecular FormulaC16H22O7
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol
SMILESOC(O)COCC(O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C4H10O5/c2*7-6-4-2-1-3-5-6;5-3(6)1-9-2-4(7)8/h2*1-5,7H;3-8H,1-2H2
InChIKeyGODJJUROYPFYNF-UHFFFAOYSA-N
XLogP0.41
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.34
LogP ≤ 50.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenylmethoxyethane-1,1-diol
CID 59866645
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
CID 161001247
CID 161001247
phenol;chloride
CID 23313261

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol?
The IUPAC name of 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol (CID 70186106) is 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol.
What is the SMILES notation for 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol?
The canonical SMILES for 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol is OC(O)COCC(O)O.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol?
The InChIKey is GODJJUROYPFYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.C4H10O5/c2*7-6-4-2-1-3-5-6;5-3(6)1-9-2-4(7)8/h2*1-5,7H;3-8H,1-2H2.
What are the key properties of 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol?
2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol has a molecular weight of 326.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol is sourced from PubChem (CID 70186106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).