2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol

C24H26O4 — CID 139945789

IUPAC2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol
SMILESCc1c(C)c(O)c(-c2ccc(-c3c(C)c(O)c(C)c(C)c3O)cc2)c(C)c1O
InChIInChI=1S/C24H26O4/c1-11-13(3)23(27)19(15(5)21(11)25)17-7-9-18(10-8-17)20-16(6)22(26)12(2)14(4)24(20)28/h7-10,25-28H,1-6H3
InChIKeyGJPAKTHLORPSHT-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.69
Rot. Bonds2

About 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol

2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol (PubChem CID 139945789) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol
PubChem CID139945789
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol
SMILESCc1c(C)c(O)c(-c2ccc(-c3c(C)c(O)c(C)c(C)c3O)cc2)c(C)c1O
InChIInChI=1S/C24H26O4/c1-11-13(3)23(27)19(15(5)21(11)25)17-7-9-18(10-8-17)20-16(6)22(26)12(2)14(4)24(20)28/h7-10,25-28H,1-6H3
InChIKeyGJPAKTHLORPSHT-UHFFFAOYSA-N
XLogP5.69
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.69
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

3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol
CID 101299485
5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol
CID 101299805
2-(4-hydroxyphenyl)-3-methylbenzene-1,4-diol
CID 101299701
5-methyl-6-phenylbenzene-1,2,4-triol
CID 101299657
3-methyl-2,4-diphenylnaphthalen-1-ol
CID 134947598
4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
CID 160922447
2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol
CID 123216051
5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol
CID 101299529
2,3-bis(4-methylphenyl)phenol
CID 175749747
4-amino-3-methyl-2-(4-methylphenyl)phenol
CID 174668416
5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid
CID 173390928
CID 145029926
CID 145029926

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol?
The IUPAC name of 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol (CID 139945789) is 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol.
What is the SMILES notation for 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol?
The canonical SMILES for 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol is Cc1c(C)c(O)c(-c2ccc(-c3c(C)c(O)c(C)c(C)c3O)cc2)c(C)c1O.
What is the InChIKey of 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol?
The InChIKey is GJPAKTHLORPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-11-13(3)23(27)19(15(5)21(11)25)17-7-9-18(10-8-17)20-16(6)22(26)12(2)14(4)24(20)28/h7-10,25-28H,1-6H3.
What are the key properties of 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol?
2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol has a molecular weight of 378.47 g/mol, XLogP of 5.69, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol is sourced from PubChem (CID 139945789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).