benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol

C15H28O7 — CID 67171689

IUPACbenzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol
SMILESCC(C)(CO)CO.OCCOCCO.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C5H12O2.C4H10O3/c7-5-1-2-6(8)4-3-5;1-5(2,3-6)4-7;5-1-3-7-4-2-6/h1-4,7-8H;6-7H,3-4H2,1-2H3;5-6H,1-4H2
InChIKeyRSULVCPDWOSWSX-UHFFFAOYSA-N
MW320.38 g/mol
LogP0.08
Rot. Bonds6

About benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol

benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol (PubChem CID 67171689) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namebenzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol
PubChem CID67171689
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Namebenzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol
SMILESCC(C)(CO)CO.OCCOCCO.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C5H12O2.C4H10O3/c7-5-1-2-6(8)4-3-5;1-5(2,3-6)4-7;5-1-3-7-4-2-6/h1-4,7-8H;6-7H,3-4H2,1-2H3;5-6H,1-4H2
InChIKeyRSULVCPDWOSWSX-UHFFFAOYSA-N
XLogP0.08
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.38
LogP ≤ 50.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid)
CID 67847985
2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2-dimethylpropanoic acid;2-(2-hydroxyethoxy)ethanol
CID 87452046
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methylbut-2-enoic acid
CID 67801336
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
4-(1-hydroxy-2-methylpropan-2-yl)oxyphenol
CID 67201302
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154
benzene;2,2-dimethylpropane-1,3-diol
CID 162098096
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
CID 61076775
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol (CID 67171689) is benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol is CC(C)(CO)CO.OCCOCCO.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol?
The InChIKey is RSULVCPDWOSWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C5H12O2.C4H10O3/c7-5-1-2-6(8)4-3-5;1-5(2,3-6)4-7;5-1-3-7-4-2-6/h1-4,7-8H;6-7H,3-4H2,1-2H3;5-6H,1-4H2.
What are the key properties of benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol?
benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol has a molecular weight of 320.38 g/mol, XLogP of 0.08, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 67171689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).