[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol

C15H22O4 — CID 67672097

IUPAC[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
SMILESCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](CO)OC[C@@H]1C
InChIInChI=1S/C15H22O4/c1-11-9-18-13(8-16)15(14(11)17-2)19-10-12-6-4-3-5-7-12/h3-7,11,13-16H,8-10H2,1-2H3/t11-,13-,14-,15-/m0/s1
InChIKeyKHVVFMWWTTUGOJ-MXAVVETBSA-N
MW266.34 g/mol
LogP1.61
Rot. Bonds5

About [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol

[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol (PubChem CID 67672097) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
PubChem CID67672097
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
SMILESCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](CO)OC[C@@H]1C
InChIInChI=1S/C15H22O4/c1-11-9-18-13(8-16)15(14(11)17-2)19-10-12-6-4-3-5-7-12/h3-7,11,13-16H,8-10H2,1-2H3/t11-,13-,14-,15-/m0/s1
InChIKeyKHVVFMWWTTUGOJ-MXAVVETBSA-N
XLogP1.61
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol with MolForge

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Related Compounds

[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 163725774
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599
(2S,3S,4S,5R,6S)-2-methoxy-5,6-dimethyl-3,4-bis(phenylmethoxy)oxepane
CID 58510389
[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol
CID 174153826
(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol
CID 54189960

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol?
The IUPAC name of [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol (CID 67672097) is [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol?
The canonical SMILES for [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol is CO[C@@H]1[C@@H](OCc2ccccc2)[C@H](CO)OC[C@@H]1C.
What is the InChIKey of [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol?
The InChIKey is KHVVFMWWTTUGOJ-MXAVVETBSA-N. The full InChI is InChI=1S/C15H22O4/c1-11-9-18-13(8-16)15(14(11)17-2)19-10-12-6-4-3-5-7-12/h3-7,11,13-16H,8-10H2,1-2H3/t11-,13-,14-,15-/m0/s1.
What are the key properties of [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol?
[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol is sourced from PubChem (CID 67672097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).