2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol

C32H42O4 — CID 59638972

IUPAC2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol
SMILESCc1cc(CCC(C)(C)c2cc(O)c(C(C)(C)CCc3cc(C)c(O)c(C)c3)cc2O)cc(C)c1O
InChIInChI=1S/C32H42O4/c1-19-13-23(14-20(2)29(19)35)9-11-31(5,6)25-17-28(34)26(18-27(25)33)32(7,8)12-10-24-15-21(3)30(36)22(4)16-24/h13-18,33-36H,9-12H2,1-8H3
InChIKeyRCAHWGBPVOGWQE-UHFFFAOYSA-N
MW490.68 g/mol
LogP7.56
Rot. Bonds8

About 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol

2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol (PubChem CID 59638972) has the molecular formula C32H42O4 and a molecular weight of 490.68 g/mol. Its IUPAC name is 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol
PubChem CID59638972
Molecular FormulaC32H42O4
Molecular Weight490.68 g/mol
Exact Mass490.31
IUPAC Name2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol
SMILESCc1cc(CCC(C)(C)c2cc(O)c(C(C)(C)CCc3cc(C)c(O)c(C)c3)cc2O)cc(C)c1O
InChIInChI=1S/C32H42O4/c1-19-13-23(14-20(2)29(19)35)9-11-31(5,6)25-17-28(34)26(18-27(25)33)32(7,8)12-10-24-15-21(3)30(36)22(4)16-24/h13-18,33-36H,9-12H2,1-8H3
InChIKeyRCAHWGBPVOGWQE-UHFFFAOYSA-N
XLogP7.56
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.68
LogP ≤ 57.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2,6-dimethylphenol
CID 70988485
4-[3,3-bis(4-hydroxy-3,5-dimethylphenyl)-5-(4-hydroxy-3-methylphenyl)pentyl]-2,6-dimethylphenol
CID 134238252
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
4,5-dimethyl-2-(2-methylbutan-2-yl)phenol
CID 130033349
4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154203171
2,5-bis[4-(dimethylamino)-2-methylbutan-2-yl]benzene-1,4-diol
CID 71336302
4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
CID 19003417
4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol
CID 71344374
4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol
CID 58676222
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
2,6-dimethyl-4-pentylphenol
CID 22625507
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol?
The IUPAC name of 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol (CID 59638972) is 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol.
What is the SMILES notation for 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol?
The canonical SMILES for 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol is Cc1cc(CCC(C)(C)c2cc(O)c(C(C)(C)CCc3cc(C)c(O)c(C)c3)cc2O)cc(C)c1O.
What is the InChIKey of 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol?
The InChIKey is RCAHWGBPVOGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O4/c1-19-13-23(14-20(2)29(19)35)9-11-31(5,6)25-17-28(34)26(18-27(25)33)32(7,8)12-10-24-15-21(3)30(36)22(4)16-24/h13-18,33-36H,9-12H2,1-8H3.
What are the key properties of 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol?
2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol has a molecular weight of 490.68 g/mol, XLogP of 7.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol is sourced from PubChem (CID 59638972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).