(3R)-4-methyl-3-phenylpentan-2-one

C12H16O — CID 7018943

IUPAC(3R)-4-methyl-3-phenylpentan-2-one
SMILESCC(=O)[C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C12H16O/c1-9(2)12(10(3)13)11-7-5-4-6-8-11/h4-9,12H,1-3H3/t12-/m0/s1
InChIKeyZGXKWWBUKMPBBD-LBPRGKRZSA-N
MW176.26 g/mol
LogP3.02
Rot. Bonds3

About (3R)-4-methyl-3-phenylpentan-2-one

(3R)-4-methyl-3-phenylpentan-2-one (PubChem CID 7018943) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (3R)-4-methyl-3-phenylpentan-2-one.

Molecular Properties

Compound Name(3R)-4-methyl-3-phenylpentan-2-one
PubChem CID7018943
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(3R)-4-methyl-3-phenylpentan-2-one
SMILESCC(=O)[C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C12H16O/c1-9(2)12(10(3)13)11-7-5-4-6-8-11/h4-9,12H,1-3H3/t12-/m0/s1
InChIKeyZGXKWWBUKMPBBD-LBPRGKRZSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
4-methyl-3-phenylhex-5-yn-2-one
CID 14713493
1-hydroxy-4-methyl-3-phenylpentan-2-one
CID 46916077
4-methyl-2,3-diphenylpentanoic acid
CID 13280236
acetic acid;cumene
CID 172767405
ethane;N-hydroxy-3-methyl-5-oxo-4-phenylhexan-2-imine oxide
CID 91136473
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
(3R,4R)-3-methyl-4-phenylpentan-2-one
CID 13413213
(3S,4S)-3-methyl-4-phenylpentan-2-one
CID 13413211
N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
1-chloro-1-phenylpropan-2-one;ethane
CID 143290485

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-3-phenylpentan-2-one?
The IUPAC name of (3R)-4-methyl-3-phenylpentan-2-one (CID 7018943) is (3R)-4-methyl-3-phenylpentan-2-one.
What is the SMILES notation for (3R)-4-methyl-3-phenylpentan-2-one?
The canonical SMILES for (3R)-4-methyl-3-phenylpentan-2-one is CC(=O)[C@@H](c1ccccc1)C(C)C.
What is the InChIKey of (3R)-4-methyl-3-phenylpentan-2-one?
The InChIKey is ZGXKWWBUKMPBBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)12(10(3)13)11-7-5-4-6-8-11/h4-9,12H,1-3H3/t12-/m0/s1.
What are the key properties of (3R)-4-methyl-3-phenylpentan-2-one?
(3R)-4-methyl-3-phenylpentan-2-one has a molecular weight of 176.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-3-phenylpentan-2-one is sourced from PubChem (CID 7018943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).