4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol

C25H28O4 — CID 22925753

IUPAC4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)c(O)c(C)c2O)cc(C)c1O
InChIInChI=1S/C25H28O4/c1-13-6-18(7-14(2)22(13)26)10-20-12-21(25(29)17(5)24(20)28)11-19-8-15(3)23(27)16(4)9-19/h6-9,12,26-29H,10-11H2,1-5H3
InChIKeyXXFWVUDRGFNWPA-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.23
Rot. Bonds4

About 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol

4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol (PubChem CID 22925753) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
PubChem CID22925753
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)c(O)c(C)c2O)cc(C)c1O
InChIInChI=1S/C25H28O4/c1-13-6-18(7-14(2)22(13)26)10-20-12-21(25(29)17(5)24(20)28)11-19-8-15(3)23(27)16(4)9-19/h6-9,12,26-29H,10-11H2,1-5H3
InChIKeyXXFWVUDRGFNWPA-UHFFFAOYSA-N
XLogP5.23
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
3,4-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
CID 166059112
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol
CID 157135640
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol
CID 90781009
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864
4,6-bis[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diol;ethane;methane
CID 159987460
4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 15965769

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol?
The IUPAC name of 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol (CID 22925753) is 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol?
The canonical SMILES for 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol is Cc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)c(O)c(C)c2O)cc(C)c1O.
What is the InChIKey of 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol?
The InChIKey is XXFWVUDRGFNWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4/c1-13-6-18(7-14(2)22(13)26)10-20-12-21(25(29)17(5)24(20)28)11-19-8-15(3)23(27)16(4)9-19/h6-9,12,26-29H,10-11H2,1-5H3.
What are the key properties of 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol?
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol has a molecular weight of 392.50 g/mol, XLogP of 5.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol is sourced from PubChem (CID 22925753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).