(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol

C13H18O3 — CID 102589589

IUPAC(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
SMILESCOc1ccc([C@H]2O[C@@H](C)[C@H](O)[C@@H]2C)cc1
InChIInChI=1S/C13H18O3/c1-8-12(14)9(2)16-13(8)10-4-6-11(15-3)7-5-10/h4-9,12-14H,1-3H3/t8-,9-,12+,13-/m0/s1
InChIKeyHTXOLGLMCILCJG-NGERZBJRSA-N
MW222.28 g/mol
LogP2.15
Rot. Bonds2

About (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol

(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol (PubChem CID 102589589) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
PubChem CID102589589
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
SMILESCOc1ccc([C@H]2O[C@@H](C)[C@H](O)[C@@H]2C)cc1
InChIInChI=1S/C13H18O3/c1-8-12(14)9(2)16-13(8)10-4-6-11(15-3)7-5-10/h4-9,12-14H,1-3H3/t8-,9-,12+,13-/m0/s1
InChIKeyHTXOLGLMCILCJG-NGERZBJRSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
(2R,4R,5S,6R)-4-(4-methoxyphenyl)-2,5,6-trimethyl-1,3-dioxane
CID 13085354
(2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane
CID 15473511
tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate
CID 10336313
4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
CID 166448551
4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398
(2R,3R,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethyloxan-4-ol
CID 139065834
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
(2S,3S,4R,5S,6S)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyloxane-3,4,5-triol
CID 155883007
(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
CID 88976580
tert-butyl (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 15315317
tert-butyl (2R,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 135529667

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol?
The IUPAC name of (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol (CID 102589589) is (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol?
The canonical SMILES for (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol is COc1ccc([C@H]2O[C@@H](C)[C@H](O)[C@@H]2C)cc1.
What is the InChIKey of (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol?
The InChIKey is HTXOLGLMCILCJG-NGERZBJRSA-N. The full InChI is InChI=1S/C13H18O3/c1-8-12(14)9(2)16-13(8)10-4-6-11(15-3)7-5-10/h4-9,12-14H,1-3H3/t8-,9-,12+,13-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol?
(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol has a molecular weight of 222.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol is sourced from PubChem (CID 102589589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).