(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one

C17H18O2 — CID 12630921

IUPAC(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
SMILESC[C@H](COCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-14(17(18)16-10-6-3-7-11-16)12-19-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/t14-/m1/s1
InChIKeyAOGULSKKTUSFPX-CQSZACIVSA-N
MW254.33 g/mol
LogP3.72
Rot. Bonds6

About (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one

(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one (PubChem CID 12630921) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
PubChem CID12630921
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
SMILESC[C@H](COCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-14(17(18)16-10-6-3-7-11-16)12-19-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/t14-/m1/s1
InChIKeyAOGULSKKTUSFPX-CQSZACIVSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-methyl-1-phenyl-4-phenylmethoxybutan-1-one
CID 13378871
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate
CID 10264907
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-bromo-1-phenyl-3,4-bis(phenylmethoxy)butan-1-one
CID 154115263
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-methyl-N-[1-(methylamino)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 171594170
(2S)-2-(2-bromopropanoylamino)-3-phenylmethoxypropanoic acid
CID 141127685

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one?
The IUPAC name of (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one (CID 12630921) is (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one.
What is the SMILES notation for (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one?
The canonical SMILES for (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one is C[C@H](COCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one?
The InChIKey is AOGULSKKTUSFPX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18O2/c1-14(17(18)16-10-6-3-7-11-16)12-19-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one?
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one is sourced from PubChem (CID 12630921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).