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

C14H22O — CID 91656437

IUPAC3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(C(C)(O)C(C)C)c(C)c1
InChIInChI=1S/C14H22O/c1-9(2)14(6,15)13-11(4)7-10(3)8-12(13)5/h7-9,15H,1-6H3
InChIKeyCBPAYNOYHRDNQY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.48
Rot. Bonds2

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

3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol (PubChem CID 91656437) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol
PubChem CID91656437
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(C(C)(O)C(C)C)c(C)c1
InChIInChI=1S/C14H22O/c1-9(2)14(6,15)13-11(4)7-10(3)8-12(13)5/h7-9,15H,1-6H3
InChIKeyCBPAYNOYHRDNQY-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol
CID 11172007
methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate
CID 62395638
2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol
CID 117278445
2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656781
(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol
CID 96823487
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
bis[2-(2,4,6-trimethylphenyl)propan-2-yl]diazene
CID 10247336
2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
(2S)-2-(5-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 97294242
1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine
CID 116839258
1,2-ditert-butyl-3,5-dimethylbenzene
CID 159753674

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol (CID 91656437) is 3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol is Cc1cc(C)c(C(C)(O)C(C)C)c(C)c1.
What is the InChIKey of 3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol?
The InChIKey is CBPAYNOYHRDNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9(2)14(6,15)13-11(4)7-10(3)8-12(13)5/h7-9,15H,1-6H3.
What are the key properties of 3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol?
3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 91656437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).