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

C16H26O2 — CID 6610

IUPAC2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol
SMILESCCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O
InChIInChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3
InChIKeyCZNRFEXEPBITDS-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.47
Rot. Bonds4

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

2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol (PubChem CID 6610) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol
PubChem CID6610
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol
SMILESCCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O
InChIInChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3
InChIKeyCZNRFEXEPBITDS-UHFFFAOYSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.47
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 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol?
The IUPAC name of 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol (CID 6610) is 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol?
The canonical SMILES for 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol is CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O.
What is the InChIKey of 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol?
The InChIKey is CZNRFEXEPBITDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3.
What are the key properties of 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol?
2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol has a molecular weight of 250.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol is sourced from PubChem (CID 6610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).