5-(2-hydroxy-3-methylbutyl)-2-methylphenol

C12H18O2 — CID 129174198

IUPAC5-(2-hydroxy-3-methylbutyl)-2-methylphenol
SMILESCc1ccc(CC(O)C(C)C)cc1O
InChIInChI=1S/C12H18O2/c1-8(2)11(13)6-10-5-4-9(3)12(14)7-10/h4-5,7-8,11,13-14H,6H2,1-3H3
InChIKeyAUMWRYXOFYPTHD-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.26
Rot. Bonds3

About 5-(2-hydroxy-3-methylbutyl)-2-methylphenol

5-(2-hydroxy-3-methylbutyl)-2-methylphenol (PubChem CID 129174198) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 5-(2-hydroxy-3-methylbutyl)-2-methylphenol.

Molecular Properties

Compound Name5-(2-hydroxy-3-methylbutyl)-2-methylphenol
PubChem CID129174198
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name5-(2-hydroxy-3-methylbutyl)-2-methylphenol
SMILESCc1ccc(CC(O)C(C)C)cc1O
InChIInChI=1S/C12H18O2/c1-8(2)11(13)6-10-5-4-9(3)12(14)7-10/h4-5,7-8,11,13-14H,6H2,1-3H3
InChIKeyAUMWRYXOFYPTHD-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(propan-2-yloxymethyl)phenol
CID 117222042
5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
CID 138664749
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
3-(3-hydroxy-4-methylphenyl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 66609867
3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
CID 110014999
5-[(4-ethylphenyl)methyl]-2-methylphenol
CID 54074755
2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine
CID 118351548
2-(2-hydroxy-3-methylbutyl)phenol
CID 130034512
N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide
CID 75501684
1-(4-methyl-3-phenylphenyl)propan-2-ol
CID 117325758
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-methylbutyl)-2-methylphenol?
The IUPAC name of 5-(2-hydroxy-3-methylbutyl)-2-methylphenol (CID 129174198) is 5-(2-hydroxy-3-methylbutyl)-2-methylphenol.
What is the SMILES notation for 5-(2-hydroxy-3-methylbutyl)-2-methylphenol?
The canonical SMILES for 5-(2-hydroxy-3-methylbutyl)-2-methylphenol is Cc1ccc(CC(O)C(C)C)cc1O.
What is the InChIKey of 5-(2-hydroxy-3-methylbutyl)-2-methylphenol?
The InChIKey is AUMWRYXOFYPTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)11(13)6-10-5-4-9(3)12(14)7-10/h4-5,7-8,11,13-14H,6H2,1-3H3.
What are the key properties of 5-(2-hydroxy-3-methylbutyl)-2-methylphenol?
5-(2-hydroxy-3-methylbutyl)-2-methylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-methylbutyl)-2-methylphenol is sourced from PubChem (CID 129174198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).