(3R)-3-(2-methylphenyl)butan-2-one

C11H14O — CID 90139628

IUPAC(3R)-3-(2-methylphenyl)butan-2-one
SMILESCC(=O)[C@H](C)c1ccccc1C
InChIInChI=1S/C11H14O/c1-8-6-4-5-7-11(8)9(2)10(3)12/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyHMTGPAKPXBNUKR-VIFPVBQESA-N
MW162.23 g/mol
LogP2.69
Rot. Bonds2

About (3R)-3-(2-methylphenyl)butan-2-one

(3R)-3-(2-methylphenyl)butan-2-one (PubChem CID 90139628) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (3R)-3-(2-methylphenyl)butan-2-one.

Molecular Properties

Compound Name(3R)-3-(2-methylphenyl)butan-2-one
PubChem CID90139628
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(3R)-3-(2-methylphenyl)butan-2-one
SMILESCC(=O)[C@H](C)c1ccccc1C
InChIInChI=1S/C11H14O/c1-8-6-4-5-7-11(8)9(2)10(3)12/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyHMTGPAKPXBNUKR-VIFPVBQESA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
2-hydroxy-4-(2-methylphenyl)pentan-3-one
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(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
3-(2-acetylphenyl)butan-2-one
CID 171562891
3-(2-fluorophenyl)butan-2-one
CID 66436572
1-hydroxy-3-methyl-1-(2-methylphenyl)butan-2-one
CID 59036554
acetic acid;(2-methylphenyl)methanediol
CID 71361235
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
3-(2-benzoylphenyl)butan-2-one
CID 69061840
1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one
CID 142068902

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylphenyl)butan-2-one?
The IUPAC name of (3R)-3-(2-methylphenyl)butan-2-one (CID 90139628) is (3R)-3-(2-methylphenyl)butan-2-one.
What is the SMILES notation for (3R)-3-(2-methylphenyl)butan-2-one?
The canonical SMILES for (3R)-3-(2-methylphenyl)butan-2-one is CC(=O)[C@H](C)c1ccccc1C.
What is the InChIKey of (3R)-3-(2-methylphenyl)butan-2-one?
The InChIKey is HMTGPAKPXBNUKR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14O/c1-8-6-4-5-7-11(8)9(2)10(3)12/h4-7,9H,1-3H3/t9-/m0/s1.
What are the key properties of (3R)-3-(2-methylphenyl)butan-2-one?
(3R)-3-(2-methylphenyl)butan-2-one has a molecular weight of 162.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylphenyl)butan-2-one is sourced from PubChem (CID 90139628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).