2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol

C17H20O2 — CID 21459645

IUPAC2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol
SMILESCCC(C)(C)c1cc(O)c(-c2ccccc2)cc1O
InChIInChI=1S/C17H20O2/c1-4-17(2,3)14-11-15(18)13(10-16(14)19)12-8-6-5-7-9-12/h5-11,18-19H,4H2,1-3H3
InChIKeyLRBZUWLECUTZIB-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.45
Rot. Bonds3

About 2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol

2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol (PubChem CID 21459645) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol
PubChem CID21459645
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol
SMILESCCC(C)(C)c1cc(O)c(-c2ccccc2)cc1O
InChIInChI=1S/C17H20O2/c1-4-17(2,3)14-11-15(18)13(10-16(14)19)12-8-6-5-7-9-12/h5-11,18-19H,4H2,1-3H3
InChIKeyLRBZUWLECUTZIB-UHFFFAOYSA-N
XLogP4.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol?
The IUPAC name of 2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol (CID 21459645) is 2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol?
The canonical SMILES for 2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol is CCC(C)(C)c1cc(O)c(-c2ccccc2)cc1O.
What is the InChIKey of 2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol?
The InChIKey is LRBZUWLECUTZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-4-17(2,3)14-11-15(18)13(10-16(14)19)12-8-6-5-7-9-12/h5-11,18-19H,4H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol?
2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol has a molecular weight of 256.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol is sourced from PubChem (CID 21459645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).