1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one

C16H22O3 — CID 11032697

IUPAC1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1O[C@H](C)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H22O3/c1-12(17)10-16-15(9-8-13(2)19-16)18-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-11H2,1-2H3/t13-,15+,16-/m1/s1
InChIKeyJVCNCNXUAXUTQC-VNQPRFMTSA-N
MW262.35 g/mol
LogP3.12
Rot. Bonds5

About 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one

1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one (PubChem CID 11032697) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one
PubChem CID11032697
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1O[C@H](C)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H22O3/c1-12(17)10-16-15(9-8-13(2)19-16)18-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-11H2,1-2H3/t13-,15+,16-/m1/s1
InChIKeyJVCNCNXUAXUTQC-VNQPRFMTSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one with MolForge

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Related Compounds

2-[(2S,3S,5S)-5-methyl-3-phenylmethoxyoxolan-2-yl]acetic acid
CID 23726629
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate
CID 25180523
S-[[(2R,3R,4S)-5-(2-oxopropyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl] ethanethioate
CID 11430295
[(2R,6R)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 174272359
[(2S,3R,4S,6R)-2-methoxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 101175724
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
1-[(2S,3R,4S,5S,6S)-4-azido-6-(iodomethyl)-3,5-bis(phenylmethoxy)oxan-2-yl]propan-2-one
CID 102192103
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
CID 59913097

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one?
The IUPAC name of 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one (CID 11032697) is 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one?
The canonical SMILES for 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one is CC(=O)C[C@H]1O[C@H](C)CC[C@@H]1OCc1ccccc1.
What is the InChIKey of 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one?
The InChIKey is JVCNCNXUAXUTQC-VNQPRFMTSA-N. The full InChI is InChI=1S/C16H22O3/c1-12(17)10-16-15(9-8-13(2)19-16)18-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-11H2,1-2H3/t13-,15+,16-/m1/s1.
What are the key properties of 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one?
1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one has a molecular weight of 262.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one is sourced from PubChem (CID 11032697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).