(2S)-1-phenyl-2-phenylmethoxypentan-3-one

C18H20O2 — CID 11807696

IUPAC(2S)-1-phenyl-2-phenylmethoxypentan-3-one
SMILESCCC(=O)[C@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H20O2/c1-2-17(19)18(13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3/t18-/m0/s1
InChIKeyVFENGEZDHVWWQN-SFHVURJKSA-N
MW268.36 g/mol
LogP3.79
Rot. Bonds7

About (2S)-1-phenyl-2-phenylmethoxypentan-3-one

(2S)-1-phenyl-2-phenylmethoxypentan-3-one (PubChem CID 11807696) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-1-phenyl-2-phenylmethoxypentan-3-one.

Molecular Properties

Compound Name(2S)-1-phenyl-2-phenylmethoxypentan-3-one
PubChem CID11807696
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2S)-1-phenyl-2-phenylmethoxypentan-3-one
SMILESCCC(=O)[C@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H20O2/c1-2-17(19)18(13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3/t18-/m0/s1
InChIKeyVFENGEZDHVWWQN-SFHVURJKSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-propoxypentan-3-one
CID 83226669
ethyl 2-methylidene-4-phenyl-3-phenylmethoxybutanoate
CID 101151275
2-phenylmethoxybutanoic acid
CID 11816388
(3S)-3-phenylmethoxy-4-(4-phenylmethoxyphenyl)butan-2-one
CID 46185770
2-ethoxy-3-phenylpropanoic acid
CID 54403311
(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 122390059
ethyl (2R)-2-benzyl-3-oxopentanoate
CID 102294334
(3R)-5-methyl-3-phenylmethoxyhexan-2-one
CID 11042263
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
benzyl (2S)-3-phenyl-2-phenylmethoxypropanoate;(2S)-3-phenyl-2-phenylmethoxypropanoic acid;(2S)-3-phenylpropane-1,1,2-triol
CID 159690571

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-2-phenylmethoxypentan-3-one?
The IUPAC name of (2S)-1-phenyl-2-phenylmethoxypentan-3-one (CID 11807696) is (2S)-1-phenyl-2-phenylmethoxypentan-3-one.
What is the SMILES notation for (2S)-1-phenyl-2-phenylmethoxypentan-3-one?
The canonical SMILES for (2S)-1-phenyl-2-phenylmethoxypentan-3-one is CCC(=O)[C@H](Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-2-phenylmethoxypentan-3-one?
The InChIKey is VFENGEZDHVWWQN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-17(19)18(13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-phenyl-2-phenylmethoxypentan-3-one?
(2S)-1-phenyl-2-phenylmethoxypentan-3-one has a molecular weight of 268.36 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-2-phenylmethoxypentan-3-one is sourced from PubChem (CID 11807696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).