3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol

C16H24O4 — CID 124677262

IUPAC3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
SMILESCO[C@H]1CC[C@@](CCCO)(COCc2ccccc2)O1
InChIInChI=1S/C16H24O4/c1-18-15-8-10-16(20-15,9-5-11-17)13-19-12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3/t15-,16+/m1/s1
InChIKeyRKAJKPWPLXYGSL-CVEARBPZSA-N
MW280.36 g/mol
LogP2.50
Rot. Bonds8

About 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol

3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol (PubChem CID 124677262) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
PubChem CID124677262
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
SMILESCO[C@H]1CC[C@@](CCCO)(COCc2ccccc2)O1
InChIInChI=1S/C16H24O4/c1-18-15-8-10-16(20-15,9-5-11-17)13-19-12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3/t15-,16+/m1/s1
InChIKeyRKAJKPWPLXYGSL-CVEARBPZSA-N
XLogP2.50
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane
CID 11164361
(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 124677269
(2R,5S)-2-ethyl-5-phenyl-2-(phenylmethoxymethyl)oxolane
CID 7832534
5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde
CID 172728928
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
CID 15293543
3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 14395384
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
[(2R,3R,4S,5S)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methanol
CID 18647750
(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane
CID 154479665
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(1R,3R,4R,5S,6R)-3-methoxy-4-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptan-5-ol
CID 11958276

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol (CID 124677262) is 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol is CO[C@H]1CC[C@@](CCCO)(COCc2ccccc2)O1.
What is the InChIKey of 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol?
The InChIKey is RKAJKPWPLXYGSL-CVEARBPZSA-N. The full InChI is InChI=1S/C16H24O4/c1-18-15-8-10-16(20-15,9-5-11-17)13-19-12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3/t15-,16+/m1/s1.
What are the key properties of 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol?
3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol has a molecular weight of 280.36 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol is sourced from PubChem (CID 124677262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).