(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol

C14H20O3 — CID 121322520

IUPAC(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
SMILESCC[C@H]1O[C@@H](O)[C@H](C)C1OCc1ccccc1
InChIInChI=1S/C14H20O3/c1-3-12-13(10(2)14(15)17-12)16-9-11-7-5-4-6-8-11/h4-8,10,12-15H,3,9H2,1-2H3/t10-,12-,13?,14-/m1/s1
InChIKeyWAJSJLZTWFIJGD-RWDKGTSBSA-N
MW236.31 g/mol
LogP2.34
Rot. Bonds4

About (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol

(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol (PubChem CID 121322520) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
PubChem CID121322520
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
SMILESCC[C@H]1O[C@@H](O)[C@H](C)C1OCc1ccccc1
InChIInChI=1S/C14H20O3/c1-3-12-13(10(2)14(15)17-12)16-9-11-7-5-4-6-8-11/h4-8,10,12-15H,3,9H2,1-2H3/t10-,12-,13?,14-/m1/s1
InChIKeyWAJSJLZTWFIJGD-RWDKGTSBSA-N
XLogP2.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
CID 122695335
[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 118885722
(2R,3R,4S,5R,6R)-2-chloro-6-ethyl-3,4,5-tris(phenylmethoxy)oxane
CID 58242550
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylprop-2-enyl)-4,5-bis(phenylmethoxy)oxane
CID 118175464
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylpropyl)-4,5-bis(phenylmethoxy)oxane
CID 118175463
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol?
The IUPAC name of (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol (CID 121322520) is (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol.
What is the SMILES notation for (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol?
The canonical SMILES for (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol is CC[C@H]1O[C@@H](O)[C@H](C)C1OCc1ccccc1.
What is the InChIKey of (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol?
The InChIKey is WAJSJLZTWFIJGD-RWDKGTSBSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-12-13(10(2)14(15)17-12)16-9-11-7-5-4-6-8-11/h4-8,10,12-15H,3,9H2,1-2H3/t10-,12-,13?,14-/m1/s1.
What are the key properties of (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol?
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol is sourced from PubChem (CID 121322520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).