2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol

C20H36N2O2 — CID 71336302

IUPAC2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol
SMILESCN(C)CCC(C)(C)c1cc(O)c(C(C)(C)CCN(C)C)cc1O
InChIInChI=1S/C20H36N2O2/c1-19(2,9-11-21(5)6)15-13-18(24)16(14-17(15)23)20(3,4)10-12-22(7)8/h13-14,23-24H,9-12H2,1-8H3
InChIKeyOOBKJLCWIKOIMH-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.56
Rot. Bonds8

About 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol

2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol (PubChem CID 71336302) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol
PubChem CID71336302
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol
SMILESCN(C)CCC(C)(C)c1cc(O)c(C(C)(C)CCN(C)C)cc1O
InChIInChI=1S/C20H36N2O2/c1-19(2,9-11-21(5)6)15-13-18(24)16(14-17(15)23)20(3,4)10-12-22(7)8/h13-14,23-24H,9-12H2,1-8H3
InChIKeyOOBKJLCWIKOIMH-UHFFFAOYSA-N
XLogP3.56
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
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 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol?
The IUPAC name of 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol (CID 71336302) is 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol.
What is the SMILES notation for 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol?
The canonical SMILES for 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol is CN(C)CCC(C)(C)c1cc(O)c(C(C)(C)CCN(C)C)cc1O.
What is the InChIKey of 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol?
The InChIKey is OOBKJLCWIKOIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-19(2,9-11-21(5)6)15-13-18(24)16(14-17(15)23)20(3,4)10-12-22(7)8/h13-14,23-24H,9-12H2,1-8H3.
What are the key properties of 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol?
2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol has a molecular weight of 336.52 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol is sourced from PubChem (CID 71336302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).