4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol

C19H22O4 — CID 166448551

IUPAC4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
SMILESCOc1ccc([C@@H]2O[C@H](c3ccc(O)cc3O)[C@@H](C)[C@H]2C)cc1
InChIInChI=1S/C19H22O4/c1-11-12(2)19(16-9-6-14(20)10-17(16)21)23-18(11)13-4-7-15(22-3)8-5-13/h4-12,18-21H,1-3H3/t11-,12+,18-,19+/m1/s1
InChIKeyAKXQSGABMHRPCY-CUWOSUSNSA-N
MW314.38 g/mol
LogP4.19
Rot. Bonds3

About 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol

4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol (PubChem CID 166448551) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
PubChem CID166448551
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
SMILESCOc1ccc([C@@H]2O[C@H](c3ccc(O)cc3O)[C@@H](C)[C@H]2C)cc1
InChIInChI=1S/C19H22O4/c1-11-12(2)19(16-9-6-14(20)10-17(16)21)23-18(11)13-4-7-15(22-3)8-5-13/h4-12,18-21H,1-3H3/t11-,12+,18-,19+/m1/s1
InChIKeyAKXQSGABMHRPCY-CUWOSUSNSA-N
XLogP4.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol with MolForge

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Related Compounds

2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 163003103
4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
CID 51694144
2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
CID 154345810
4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
CID 14681579
(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
CID 102589589
(2R,4R,5S,6R)-4-(4-methoxyphenyl)-2,5,6-trimethyl-1,3-dioxane
CID 13085354
(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 11482661
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
benzene-1,2-diol;4-methoxyphenol
CID 70292826
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol (CID 166448551) is 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol is COc1ccc([C@@H]2O[C@H](c3ccc(O)cc3O)[C@@H](C)[C@H]2C)cc1.
What is the InChIKey of 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol?
The InChIKey is AKXQSGABMHRPCY-CUWOSUSNSA-N. The full InChI is InChI=1S/C19H22O4/c1-11-12(2)19(16-9-6-14(20)10-17(16)21)23-18(11)13-4-7-15(22-3)8-5-13/h4-12,18-21H,1-3H3/t11-,12+,18-,19+/m1/s1.
What are the key properties of 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol?
4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol has a molecular weight of 314.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol is sourced from PubChem (CID 166448551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).