(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol

C13H20O — CID 94334038

IUPAC(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
SMILESCc1ccc([C@@](C)(O)C(C)C)cc1C
InChIInChI=1S/C13H20O/c1-9(2)13(5,14)12-7-6-10(3)11(4)8-12/h6-9,14H,1-5H3/t13-/m0/s1
InChIKeyRRVJCJCLFWFLDE-ZDUSSCGKSA-N
MW192.30 g/mol
LogP3.17
Rot. Bonds2

About (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol

(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol (PubChem CID 94334038) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
PubChem CID94334038
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
SMILESCc1ccc([C@@](C)(O)C(C)C)cc1C
InChIInChI=1S/C13H20O/c1-9(2)13(5,14)12-7-6-10(3)11(4)8-12/h6-9,14H,1-5H3/t13-/m0/s1
InChIKeyRRVJCJCLFWFLDE-ZDUSSCGKSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
CID 58481777
2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
tert-butyl 3-(3,4-dimethylphenyl)-3-hydroxy-2-methylbutanoate
CID 66337269
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
methyl 3-(3,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395949
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
2-(4-aminophenyl)-3-methylbutan-2-ol
CID 115015456
(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol
CID 96823487
(2S)-2-(5-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 97294242
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol?
The IUPAC name of (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol (CID 94334038) is (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol?
The canonical SMILES for (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol is Cc1ccc([C@@](C)(O)C(C)C)cc1C.
What is the InChIKey of (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol?
The InChIKey is RRVJCJCLFWFLDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20O/c1-9(2)13(5,14)12-7-6-10(3)11(4)8-12/h6-9,14H,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol?
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 94334038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).