(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol

C12H18O — CID 93299009

IUPAC(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
SMILESCc1ccc([C@](C)(O)C(C)C)cc1
InChIInChI=1S/C12H18O/c1-9(2)12(4,13)11-7-5-10(3)6-8-11/h5-9,13H,1-4H3/t12-/m1/s1
InChIKeyZDTNWMLYMPDPRI-GFCCVEGCSA-N
MW178.27 g/mol
LogP2.86
Rot. Bonds2

About (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol

(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol (PubChem CID 93299009) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
PubChem CID93299009
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
SMILESCc1ccc([C@](C)(O)C(C)C)cc1
InChIInChI=1S/C12H18O/c1-9(2)12(4,13)11-7-5-10(3)6-8-11/h5-9,13H,1-4H3/t12-/m1/s1
InChIKeyZDTNWMLYMPDPRI-GFCCVEGCSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-3-methylbutan-2-ol
CID 115015456
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294233
(2R)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294234
1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
CID 142109558
(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol
CID 125487298
2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
CID 58481777
1-tert-butyl-4-methylbenzene
CID 163486601
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol?
The IUPAC name of (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol (CID 93299009) is (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol?
The canonical SMILES for (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol is Cc1ccc([C@](C)(O)C(C)C)cc1.
What is the InChIKey of (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol?
The InChIKey is ZDTNWMLYMPDPRI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O/c1-9(2)12(4,13)11-7-5-10(3)6-8-11/h5-9,13H,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol?
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 93299009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).