2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol

C17H20O2 — CID 21282731

IUPAC2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(Cc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H20O2/c1-10-5-11(2)17(19)15(6-10)9-14-7-12(3)16(18)13(4)8-14/h5-8,18-19H,9H2,1-4H3
InChIKeySSPFZCYHJXFTJC-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.92
Rot. Bonds2

About 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol

2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol (PubChem CID 21282731) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
PubChem CID21282731
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(Cc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H20O2/c1-10-5-11(2)17(19)15(6-10)9-14-7-12(3)16(18)13(4)8-14/h5-8,18-19H,9H2,1-4H3
InChIKeySSPFZCYHJXFTJC-UHFFFAOYSA-N
XLogP3.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 20750468
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
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-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 22925753
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
2,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenolate;tetrakis(2-carboxyethyl)azanium
CID 153401515
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
CID 118528705
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol (CID 21282731) is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(Cc2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
The InChIKey is SSPFZCYHJXFTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-10-5-11(2)17(19)15(6-10)9-14-7-12(3)16(18)13(4)8-14/h5-8,18-19H,9H2,1-4H3.
What are the key properties of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol has a molecular weight of 256.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol is sourced from PubChem (CID 21282731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).