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

C24H26O4 — CID 58625699

IUPAC2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
SMILESCc1cc(C)c(O)c(Cc2cc(O)c(Cc3cc(C)cc(C)c3O)cc2O)c1
InChIInChI=1S/C24H26O4/c1-13-5-15(3)23(27)19(7-13)9-17-11-22(26)18(12-21(17)25)10-20-8-14(2)6-16(4)24(20)28/h5-8,11-12,25-28H,9-10H2,1-4H3
InChIKeyVLCOQUUCFXJXPH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.92
Rot. Bonds4

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

2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol (PubChem CID 58625699) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol.

Molecular Properties

Compound Name2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
PubChem CID58625699
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
SMILESCc1cc(C)c(O)c(Cc2cc(O)c(Cc3cc(C)cc(C)c3O)cc2O)c1
InChIInChI=1S/C24H26O4/c1-13-5-15(3)23(27)19(7-13)9-17-11-22(26)18(12-21(17)25)10-20-8-14(2)6-16(4)24(20)28/h5-8,11-12,25-28H,9-10H2,1-4H3
InChIKeyVLCOQUUCFXJXPH-UHFFFAOYSA-N
XLogP4.92
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.92
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

2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
CID 118528705
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methyl]-4,6-dimethylphenol
CID 71213924
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
CID 139625941
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol
CID 15095946
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
carbanide;2-[[5-[[5-[[5-[[3-[(5-ethyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-4,6-dimethylphenol;bis(titanium(2+))
CID 59071786
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
CID 90702119
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 20750468
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol?
The IUPAC name of 2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol (CID 58625699) is 2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol.
What is the SMILES notation for 2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol?
The canonical SMILES for 2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol is Cc1cc(C)c(O)c(Cc2cc(O)c(Cc3cc(C)cc(C)c3O)cc2O)c1.
What is the InChIKey of 2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol?
The InChIKey is VLCOQUUCFXJXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-13-5-15(3)23(27)19(7-13)9-17-11-22(26)18(12-21(17)25)10-20-8-14(2)6-16(4)24(20)28/h5-8,11-12,25-28H,9-10H2,1-4H3.
What are the key properties of 2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol?
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol has a molecular weight of 378.47 g/mol, XLogP of 4.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol is sourced from PubChem (CID 58625699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).