(2R)-1-(4-methylphenyl)butan-2-ol

C11H16O — CID 39235998

IUPAC(2R)-1-(4-methylphenyl)butan-2-ol
SMILESCC[C@@H](O)Cc1ccc(C)cc1
InChIInChI=1S/C11H16O/c1-3-11(12)8-10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3/t11-/m1/s1
InChIKeyFYGLQZUWRNFUKW-LLVKDONJSA-N
MW164.25 g/mol
LogP2.31
Rot. Bonds3

About (2R)-1-(4-methylphenyl)butan-2-ol

(2R)-1-(4-methylphenyl)butan-2-ol (PubChem CID 39235998) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)butan-2-ol
PubChem CID39235998
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2R)-1-(4-methylphenyl)butan-2-ol
SMILESCC[C@@H](O)Cc1ccc(C)cc1
InChIInChI=1S/C11H16O/c1-3-11(12)8-10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3/t11-/m1/s1
InChIKeyFYGLQZUWRNFUKW-LLVKDONJSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-(4-methylphenyl)octan-2-ol
CID 62607878
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
1-(4-ethylsulfanylphenyl)butan-2-ol
CID 91658585
3-hydroxy-4-(4-methylphenyl)butanenitrile
CID 82074874
(2R)-1-[4-(diethylamino)phenyl]butan-2-ol
CID 94776154
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)butan-2-ol?
The IUPAC name of (2R)-1-(4-methylphenyl)butan-2-ol (CID 39235998) is (2R)-1-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylphenyl)butan-2-ol?
The canonical SMILES for (2R)-1-(4-methylphenyl)butan-2-ol is CC[C@@H](O)Cc1ccc(C)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)butan-2-ol?
The InChIKey is FYGLQZUWRNFUKW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O/c1-3-11(12)8-10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)butan-2-ol?
(2R)-1-(4-methylphenyl)butan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 39235998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).