(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol

C14H22O — CID 96823487

IUPAC(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c([C@@](C)(O)C(C)C)cc1C
InChIInChI=1S/C14H22O/c1-9(2)14(6,15)13-8-11(4)10(3)7-12(13)5/h7-9,15H,1-6H3/t14-/m0/s1
InChIKeyZFPUPIJVDQXDIE-AWEZNQCLSA-N
MW206.33 g/mol
LogP3.48
Rot. Bonds2

About (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol

(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol (PubChem CID 96823487) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol
PubChem CID96823487
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c([C@@](C)(O)C(C)C)cc1C
InChIInChI=1S/C14H22O/c1-9(2)14(6,15)13-8-11(4)10(3)7-12(13)5/h7-9,15H,1-6H3/t14-/m0/s1
InChIKeyZFPUPIJVDQXDIE-AWEZNQCLSA-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

3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol
CID 64984866
(2S)-2-(5-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 97294242
2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol
CID 64984867
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol
CID 114865584
1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene
CID 21350453
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol
CID 64990325
3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656437
3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)butan-2-ol
CID 64985240
1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene
CID 116841558
1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 64985168

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol?
The IUPAC name of (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol (CID 96823487) is (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol.
What is the SMILES notation for (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol?
The canonical SMILES for (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol is Cc1cc(C)c([C@@](C)(O)C(C)C)cc1C.
What is the InChIKey of (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol?
The InChIKey is ZFPUPIJVDQXDIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22O/c1-9(2)14(6,15)13-8-11(4)10(3)7-12(13)5/h7-9,15H,1-6H3/t14-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol?
(2S)-3-methyl-2-(2,4,5-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 (2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 96823487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).