2,5-di(propan-2-yloxy)benzene-1,4-diol

C12H18O4 — CID 70497584

IUPAC2,5-di(propan-2-yloxy)benzene-1,4-diol
SMILESCC(C)Oc1cc(O)c(OC(C)C)cc1O
InChIInChI=1S/C12H18O4/c1-7(2)15-11-5-10(14)12(6-9(11)13)16-8(3)4/h5-8,13-14H,1-4H3
InChIKeyMEFPUWBHTZFIDE-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.67
Rot. Bonds4

About 2,5-di(propan-2-yloxy)benzene-1,4-diol

2,5-di(propan-2-yloxy)benzene-1,4-diol (PubChem CID 70497584) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2,5-di(propan-2-yloxy)benzene-1,4-diol.

Molecular Properties

Compound Name2,5-di(propan-2-yloxy)benzene-1,4-diol
PubChem CID70497584
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2,5-di(propan-2-yloxy)benzene-1,4-diol
SMILESCC(C)Oc1cc(O)c(OC(C)C)cc1O
InChIInChI=1S/C12H18O4/c1-7(2)15-11-5-10(14)12(6-9(11)13)16-8(3)4/h5-8,13-14H,1-4H3
InChIKeyMEFPUWBHTZFIDE-UHFFFAOYSA-N
XLogP2.67
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-fluoro-5-methyl-2-propan-2-yloxyphenol
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2,5-di(propan-2-yloxy)phenol
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6-propan-2-yloxy-1H-inden-5-ol
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(4-hydroxy-3-propan-2-yloxyphenyl)boronic acid
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2,5-diethyl-4-propan-2-yloxyphenol
CID 162375189
2-(4-hydroxy-3-propan-2-yloxyphenoxy)propane-1,3-diol
CID 77231109
1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone
CID 15345468
4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
CID 118278100
4-amino-3-propan-2-yloxyphenol
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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yloxy)benzene-1,4-diol?
The IUPAC name of 2,5-di(propan-2-yloxy)benzene-1,4-diol (CID 70497584) is 2,5-di(propan-2-yloxy)benzene-1,4-diol.
What is the SMILES notation for 2,5-di(propan-2-yloxy)benzene-1,4-diol?
The canonical SMILES for 2,5-di(propan-2-yloxy)benzene-1,4-diol is CC(C)Oc1cc(O)c(OC(C)C)cc1O.
What is the InChIKey of 2,5-di(propan-2-yloxy)benzene-1,4-diol?
The InChIKey is MEFPUWBHTZFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-7(2)15-11-5-10(14)12(6-9(11)13)16-8(3)4/h5-8,13-14H,1-4H3.
What are the key properties of 2,5-di(propan-2-yloxy)benzene-1,4-diol?
2,5-di(propan-2-yloxy)benzene-1,4-diol has a molecular weight of 226.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yloxy)benzene-1,4-diol is sourced from PubChem (CID 70497584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).