benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane

C14H24O3 — CID 175551749

IUPACbenzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane
SMILESCC(C)COCC(C)C.Oc1ccccc1O
InChIInChI=1S/C8H18O.C6H6O2/c1-7(2)5-9-6-8(3)4;7-5-3-1-2-4-6(5)8/h7-8H,5-6H2,1-4H3;1-4,7-8H
InChIKeyUOLKUBBJROQXTC-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.41
Rot. Bonds4

About benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane

benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane (PubChem CID 175551749) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane.

Molecular Properties

Compound Namebenzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane
PubChem CID175551749
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namebenzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane
SMILESCC(C)COCC(C)C.Oc1ccccc1O
InChIInChI=1S/C8H18O.C6H6O2/c1-7(2)5-9-6-8(3)4;7-5-3-1-2-4-6(5)8/h7-8H,5-6H2,1-4H3;1-4,7-8H
InChIKeyUOLKUBBJROQXTC-UHFFFAOYSA-N
XLogP3.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane?
The IUPAC name of benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane (CID 175551749) is benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane.
What is the SMILES notation for benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane?
The canonical SMILES for benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane is CC(C)COCC(C)C.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane?
The InChIKey is UOLKUBBJROQXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C6H6O2/c1-7(2)5-9-6-8(3)4;7-5-3-1-2-4-6(5)8/h7-8H,5-6H2,1-4H3;1-4,7-8H.
What are the key properties of benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane?
benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane has a molecular weight of 240.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane is sourced from PubChem (CID 175551749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).