[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol

C16H24O3 — CID 174153826

IUPAC[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol
SMILESCC[C@H]1OC[C@@H](CO)[C@@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C16H24O3/c1-3-15-12(2)16(14(9-17)11-18-15)19-10-13-7-5-4-6-8-13/h4-8,12,14-17H,3,9-11H2,1-2H3/t12-,14+,15+,16-/m0/s1
InChIKeyJJBHWSGKNOCIAG-XZDPQHSOSA-N
MW264.36 g/mol
LogP2.63
Rot. Bonds5

About [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol

[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol (PubChem CID 174153826) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol
PubChem CID174153826
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol
SMILESCC[C@H]1OC[C@@H](CO)[C@@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C16H24O3/c1-3-15-12(2)16(14(9-17)11-18-15)19-10-13-7-5-4-6-8-13/h4-8,12,14-17H,3,9-11H2,1-2H3/t12-,14+,15+,16-/m0/s1
InChIKeyJJBHWSGKNOCIAG-XZDPQHSOSA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol with MolForge

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Related Compounds

(3R,4S,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxane-3-carboxylic acid
CID 174153806
[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine
CID 170420233
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 163725774
[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
CID 67672097
[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90128354
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylprop-2-enyl)-4,5-bis(phenylmethoxy)oxane
CID 118175464
(3R,4S,5R,6R)-2-[bromo(fluoro)methylidene]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane
CID 70791266
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
(2S,4R,5R)-2,4-diethyl-5-phenylmethoxy-1,3-dioxane
CID 70592950
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
CID 122695335

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol?
The IUPAC name of [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol (CID 174153826) is [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol.
What is the SMILES notation for [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol?
The canonical SMILES for [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol is CC[C@H]1OC[C@@H](CO)[C@@H](OCc2ccccc2)[C@H]1C.
What is the InChIKey of [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol?
The InChIKey is JJBHWSGKNOCIAG-XZDPQHSOSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-15-12(2)16(14(9-17)11-18-15)19-10-13-7-5-4-6-8-13/h4-8,12,14-17H,3,9-11H2,1-2H3/t12-,14+,15+,16-/m0/s1.
What are the key properties of [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol?
[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol has a molecular weight of 264.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol is sourced from PubChem (CID 174153826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).