3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol

C14H22O — CID 11229524

IUPAC3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(CC(C)C(C)O)c(C)c1
InChIInChI=1S/C14H22O/c1-9-6-11(3)14(12(4)7-9)8-10(2)13(5)15/h6-7,10,13,15H,8H2,1-5H3
InChIKeyDMIZIBWQMYRQRH-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.17
Rot. Bonds3

About 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol

3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol (PubChem CID 11229524) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
PubChem CID11229524
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(CC(C)C(C)O)c(C)c1
InChIInChI=1S/C14H22O/c1-9-6-11(3)14(12(4)7-9)8-10(2)13(5)15/h6-7,10,13,15H,8H2,1-5H3
InChIKeyDMIZIBWQMYRQRH-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 63716659
1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 107978212
4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 63899352
5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol
CID 114211453
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781909
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994
N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 65132056
3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
CID 116710908
dipropan-2-yl (2S,3R)-2-hydroxy-3-[(2,4,6-trimethylphenyl)methyl]butanedioate
CID 101114387
4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79086786

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol (CID 11229524) is 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol is Cc1cc(C)c(CC(C)C(C)O)c(C)c1.
What is the InChIKey of 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol?
The InChIKey is DMIZIBWQMYRQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9-6-11(3)14(12(4)7-9)8-10(2)13(5)15/h6-7,10,13,15H,8H2,1-5H3.
What are the key properties of 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol?
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 11229524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).