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

C16H18O2 — CID 22278094

IUPAC4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2cccc(C)c2O)cc(C)c1O
InChIInChI=1S/C16H18O2/c1-10-5-4-6-14(16(10)18)9-13-7-11(2)15(17)12(3)8-13/h4-8,17-18H,9H2,1-3H3
InChIKeyPNEWNVFSLCPRAV-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.61
Rot. Bonds2

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

4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol (PubChem CID 22278094) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
PubChem CID22278094
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2cccc(C)c2O)cc(C)c1O
InChIInChI=1S/C16H18O2/c1-10-5-4-6-14(16(10)18)9-13-7-11(2)15(17)12(3)8-13/h4-8,17-18H,9H2,1-3H3
InChIKeyPNEWNVFSLCPRAV-UHFFFAOYSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240
2-[(3-hydroxy-4-methylphenyl)methyl]-6-methylphenol
CID 66843449
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 22925753
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 15965769
3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol
CID 54300976
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol (CID 22278094) is 4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol is Cc1cc(Cc2cccc(C)c2O)cc(C)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol?
The InChIKey is PNEWNVFSLCPRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-5-4-6-14(16(10)18)9-13-7-11(2)15(17)12(3)8-13/h4-8,17-18H,9H2,1-3H3.
What are the key properties of 4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol?
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol has a molecular weight of 242.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 22278094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).