2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol

C15H16O2 — CID 101299255

IUPAC2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2ccc(C)c(O)c2)cc1C
InChIInChI=1S/C15H16O2/c1-9-4-5-12(8-14(9)16)13-6-10(2)11(3)7-15(13)17/h4-8,16-17H,1-3H3
InChIKeyXXCPYVQHABVNPL-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.69
Rot. Bonds1

About 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol

2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol (PubChem CID 101299255) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol
PubChem CID101299255
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2ccc(C)c(O)c2)cc1C
InChIInChI=1S/C15H16O2/c1-9-4-5-12(8-14(9)16)13-6-10(2)11(3)7-15(13)17/h4-8,16-17H,1-3H3
InChIKeyXXCPYVQHABVNPL-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
5-(2-hydroxyphenyl)-2-methylphenol
CID 53218780
3-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol
CID 101299322
benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 158570472
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963
5-(3-fluoro-2-methylphenyl)-2-methylphenol
CID 53218846
2-(3-hydroxy-5-methylphenyl)-4,5-dimethylphenol
CID 101299256
2-methyl-5-pyridin-4-ylphenol
CID 46316792
5-(3,4-dichlorophenyl)-2-methylphenol
CID 53219084
5-(4-ethylphenyl)-2-methylphenol
CID 53218816
5-(3,4-dimethylphenyl)benzene-1,2,3-triol
CID 101299815
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol?
The IUPAC name of 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol (CID 101299255) is 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol.
What is the SMILES notation for 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol?
The canonical SMILES for 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol is Cc1cc(O)c(-c2ccc(C)c(O)c2)cc1C.
What is the InChIKey of 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol?
The InChIKey is XXCPYVQHABVNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-4-5-12(8-14(9)16)13-6-10(2)11(3)7-15(13)17/h4-8,16-17H,1-3H3.
What are the key properties of 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol?
2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol has a molecular weight of 228.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol is sourced from PubChem (CID 101299255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).