[(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol

C17H20O3 — CID 164966177

IUPAC[(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol
SMILESCO[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1c1cccc2ccccc12
InChIInChI=1S/C17H20O3/c1-11-15(10-18)20-17(16(11)19-2)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-18H,10H2,1-2H3/t11-,15-,16-,17+/m1/s1
InChIKeyCYUFBJNXJMFQTG-AHBIMHKDSA-N
MW272.34 g/mol
LogP2.92
Rot. Bonds3

About [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol

[(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol (PubChem CID 164966177) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol
PubChem CID164966177
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name[(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol
SMILESCO[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1c1cccc2ccccc12
InChIInChI=1S/C17H20O3/c1-11-15(10-18)20-17(16(11)19-2)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-18H,10H2,1-2H3/t11-,15-,16-,17+/m1/s1
InChIKeyCYUFBJNXJMFQTG-AHBIMHKDSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 57164696
(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene
CID 162037384
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
CID 156513644
[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90128354
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
CID 23660970
(1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
CID 101064560
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568
dimethyl 2-naphthalen-1-ylcyclopropane-1,1-dicarboxylate
CID 132540327
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol
CID 67827682
2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol (CID 164966177) is [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol is CO[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1c1cccc2ccccc12.
What is the InChIKey of [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol?
The InChIKey is CYUFBJNXJMFQTG-AHBIMHKDSA-N. The full InChI is InChI=1S/C17H20O3/c1-11-15(10-18)20-17(16(11)19-2)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-18H,10H2,1-2H3/t11-,15-,16-,17+/m1/s1.
What are the key properties of [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol?
[(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol has a molecular weight of 272.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol is sourced from PubChem (CID 164966177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).