4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

C19H22O4 — CID 163003103

IUPAC4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
SMILESCOc1cc([C@H]2O[C@H](c3ccc(O)cc3)[C@H](C)[C@@H]2C)ccc1O
InChIInChI=1S/C19H22O4/c1-11-12(2)19(14-6-9-16(21)17(10-14)22-3)23-18(11)13-4-7-15(20)8-5-13/h4-12,18-21H,1-3H3/t11-,12+,18+,19+/m1/s1
InChIKeyDKUILHLOCPAHRG-GOCROKSSSA-N
MW314.38 g/mol
LogP4.19
Rot. Bonds3

About 4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol (PubChem CID 163003103) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
PubChem CID163003103
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
SMILESCOc1cc([C@H]2O[C@H](c3ccc(O)cc3)[C@H](C)[C@@H]2C)ccc1O
InChIInChI=1S/C19H22O4/c1-11-12(2)19(14-6-9-16(21)17(10-14)22-3)23-18(11)13-4-7-15(20)8-5-13/h4-12,18-21H,1-3H3/t11-,12+,18+,19+/m1/s1
InChIKeyDKUILHLOCPAHRG-GOCROKSSSA-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

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Related Compounds

4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
CID 51694144
4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
CID 14681579
4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102260959
4-[(2S,3S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 122389430
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917
4-[(2S,3R,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 163044948
4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 131751451
3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylic acid
CID 131832014
4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
CID 166448551
4-[2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-3-yl]-2-methoxyphenol
CID 135057347
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
(2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol
CID 51723028

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol (CID 163003103) is 4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol is COc1cc([C@H]2O[C@H](c3ccc(O)cc3)[C@H](C)[C@@H]2C)ccc1O.
What is the InChIKey of 4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol?
The InChIKey is DKUILHLOCPAHRG-GOCROKSSSA-N. The full InChI is InChI=1S/C19H22O4/c1-11-12(2)19(14-6-9-16(21)17(10-14)22-3)23-18(11)13-4-7-15(20)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,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol?
4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol 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,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol is sourced from PubChem (CID 163003103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).