benzene-1,4-diol;2,2-dimethylpropane-1,3-diol

C11H18O4 — CID 19734990

IUPACbenzene-1,4-diol;2,2-dimethylpropane-1,3-diol
SMILESCC(C)(CO)CO.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C5H12O2/c7-5-1-2-6(8)4-3-5;1-5(2,3-6)4-7/h1-4,7-8H;6-7H,3-4H2,1-2H3
InChIKeyDWEMPDNPLNEZQT-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.10
Rot. Bonds2

About benzene-1,4-diol;2,2-dimethylpropane-1,3-diol

benzene-1,4-diol;2,2-dimethylpropane-1,3-diol (PubChem CID 19734990) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is benzene-1,4-diol;2,2-dimethylpropane-1,3-diol.

Molecular Properties

Compound Namebenzene-1,4-diol;2,2-dimethylpropane-1,3-diol
PubChem CID19734990
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namebenzene-1,4-diol;2,2-dimethylpropane-1,3-diol
SMILESCC(C)(CO)CO.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C5H12O2/c7-5-1-2-6(8)4-3-5;1-5(2,3-6)4-7/h1-4,7-8H;6-7H,3-4H2,1-2H3
InChIKeyDWEMPDNPLNEZQT-UHFFFAOYSA-N
XLogP1.10
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;2,2-dimethylpropane-1,3-diol?
The IUPAC name of benzene-1,4-diol;2,2-dimethylpropane-1,3-diol (CID 19734990) is benzene-1,4-diol;2,2-dimethylpropane-1,3-diol.
What is the SMILES notation for benzene-1,4-diol;2,2-dimethylpropane-1,3-diol?
The canonical SMILES for benzene-1,4-diol;2,2-dimethylpropane-1,3-diol is CC(C)(CO)CO.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;2,2-dimethylpropane-1,3-diol?
The InChIKey is DWEMPDNPLNEZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C5H12O2/c7-5-1-2-6(8)4-3-5;1-5(2,3-6)4-7/h1-4,7-8H;6-7H,3-4H2,1-2H3.
What are the key properties of benzene-1,4-diol;2,2-dimethylpropane-1,3-diol?
benzene-1,4-diol;2,2-dimethylpropane-1,3-diol has a molecular weight of 214.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;2,2-dimethylpropane-1,3-diol is sourced from PubChem (CID 19734990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).