2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol

C24H26O2 — CID 121300355

IUPAC2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
SMILESCC(C)c1ccc(-c2cc(O)c(-c3ccc(C(C)C)cc3)cc2O)cc1
InChIInChI=1S/C24H26O2/c1-15(2)17-5-9-19(10-6-17)21-13-24(26)22(14-23(21)25)20-11-7-18(8-12-20)16(3)4/h5-16,25-26H,1-4H3
InChIKeyBAXRNXXUWCLEJJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.68
Rot. Bonds4

About 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol

2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol (PubChem CID 121300355) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
PubChem CID121300355
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
SMILESCC(C)c1ccc(-c2cc(O)c(-c3ccc(C(C)C)cc3)cc2O)cc1
InChIInChI=1S/C24H26O2/c1-15(2)17-5-9-19(10-6-17)21-13-24(26)22(14-23(21)25)20-11-7-18(8-12-20)16(3)4/h5-16,25-26H,1-4H3
InChIKeyBAXRNXXUWCLEJJ-UHFFFAOYSA-N
XLogP6.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(4-propan-2-ylphenyl)phenol
CID 83131035
4-(2-propan-2-ylphenyl)-2-(4-propan-2-ylphenyl)phenol
CID 101384049
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
4-(1-aminoethyl)-2-(4-chlorophenyl)phenol
CID 115046197
6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol
CID 163506374
5-propan-2-yl-2-(1-sulfanylethyl)phenol
CID 135213072
1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
CID 91306143
2-chloro-5-propan-2-ylphenol
CID 59596487
methane;4-propan-2-ylphenol
CID 159328733
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117284776

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol?
The IUPAC name of 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol (CID 121300355) is 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol.
What is the SMILES notation for 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol?
The canonical SMILES for 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol is CC(C)c1ccc(-c2cc(O)c(-c3ccc(C(C)C)cc3)cc2O)cc1.
What is the InChIKey of 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol?
The InChIKey is BAXRNXXUWCLEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-15(2)17-5-9-19(10-6-17)21-13-24(26)22(14-23(21)25)20-11-7-18(8-12-20)16(3)4/h5-16,25-26H,1-4H3.
What are the key properties of 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol?
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol has a molecular weight of 346.47 g/mol, XLogP of 6.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol is sourced from PubChem (CID 121300355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).