(3R)-5-methyl-3-phenylmethoxyhexan-2-one

C14H20O2 — CID 11042263

IUPAC(3R)-5-methyl-3-phenylmethoxyhexan-2-one
SMILESCC(=O)[C@@H](CC(C)C)OCc1ccccc1
InChIInChI=1S/C14H20O2/c1-11(2)9-14(12(3)15)16-10-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyINANONBSVNQACU-CQSZACIVSA-N
MW220.31 g/mol
LogP3.21
Rot. Bonds6

About (3R)-5-methyl-3-phenylmethoxyhexan-2-one

(3R)-5-methyl-3-phenylmethoxyhexan-2-one (PubChem CID 11042263) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (3R)-5-methyl-3-phenylmethoxyhexan-2-one.

Molecular Properties

Compound Name(3R)-5-methyl-3-phenylmethoxyhexan-2-one
PubChem CID11042263
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(3R)-5-methyl-3-phenylmethoxyhexan-2-one
SMILESCC(=O)[C@@H](CC(C)C)OCc1ccccc1
InChIInChI=1S/C14H20O2/c1-11(2)9-14(12(3)15)16-10-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyINANONBSVNQACU-CQSZACIVSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-phenylmethoxypentanamide
CID 141033880
(3S)-3-phenylmethoxy-4-(4-phenylmethoxyphenyl)butan-2-one
CID 46185770
2-phenylmethoxybutanoic acid
CID 11816388
3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one
CID 159455035
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
[(1S)-1-phenylmethoxyethyl] acetate
CID 10965388
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
4-methyl-2-(1-oxo-1-phenylmethoxypropan-2-yl)pentanoic acid
CID 19087579
(2S)-2-amino-4-methylpentanoic acid;phenylmethoxymethylbenzene
CID 70097248
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
3-oxo-2-phenylmethoxybutanoyl chloride
CID 175519771

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-3-phenylmethoxyhexan-2-one?
The IUPAC name of (3R)-5-methyl-3-phenylmethoxyhexan-2-one (CID 11042263) is (3R)-5-methyl-3-phenylmethoxyhexan-2-one.
What is the SMILES notation for (3R)-5-methyl-3-phenylmethoxyhexan-2-one?
The canonical SMILES for (3R)-5-methyl-3-phenylmethoxyhexan-2-one is CC(=O)[C@@H](CC(C)C)OCc1ccccc1.
What is the InChIKey of (3R)-5-methyl-3-phenylmethoxyhexan-2-one?
The InChIKey is INANONBSVNQACU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)9-14(12(3)15)16-10-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-5-methyl-3-phenylmethoxyhexan-2-one?
(3R)-5-methyl-3-phenylmethoxyhexan-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-3-phenylmethoxyhexan-2-one is sourced from PubChem (CID 11042263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).