3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol

C16H18O2 — CID 134286117

IUPAC3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol
SMILESCc1cc(O)cc(Cc2cc(O)cc(C)c2C)c1
InChIInChI=1S/C16H18O2/c1-10-4-13(8-15(17)5-10)7-14-9-16(18)6-11(2)12(14)3/h4-6,8-9,17-18H,7H2,1-3H3
InChIKeyFSISXAKOYGQHBF-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.61
Rot. Bonds2

About 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol

3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol (PubChem CID 134286117) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol.

Molecular Properties

Compound Name3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol
PubChem CID134286117
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol
SMILESCc1cc(O)cc(Cc2cc(O)cc(C)c2C)c1
InChIInChI=1S/C16H18O2/c1-10-4-13(8-15(17)5-10)7-14-9-16(18)6-11(2)12(14)3/h4-6,8-9,17-18H,7H2,1-3H3
InChIKeyFSISXAKOYGQHBF-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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol?
The IUPAC name of 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol (CID 134286117) is 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol.
What is the SMILES notation for 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol?
The canonical SMILES for 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol is Cc1cc(O)cc(Cc2cc(O)cc(C)c2C)c1.
What is the InChIKey of 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol?
The InChIKey is FSISXAKOYGQHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-4-13(8-15(17)5-10)7-14-9-16(18)6-11(2)12(14)3/h4-6,8-9,17-18H,7H2,1-3H3.
What are the key properties of 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol?
3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-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 3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol is sourced from PubChem (CID 134286117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).