(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol

C17H20O5 — CID 23628905

IUPAC(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol
SMILESCOc1cc(O)c([C@H](c2ccccc2)[C@@H](O)CO)c(OC)c1
InChIInChI=1S/C17H20O5/c1-21-12-8-13(19)17(15(9-12)22-2)16(14(20)10-18)11-6-4-3-5-7-11/h3-9,14,16,18-20H,10H2,1-2H3/t14-,16+/m0/s1
InChIKeySCNIXYGAPUAKLU-GOEBONIOSA-N
MW304.34 g/mol
LogP1.89
Rot. Bonds6

About (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol

(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol (PubChem CID 23628905) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol
PubChem CID23628905
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol
SMILESCOc1cc(O)c([C@H](c2ccccc2)[C@@H](O)CO)c(OC)c1
InChIInChI=1S/C17H20O5/c1-21-12-8-13(19)17(15(9-12)22-2)16(14(20)10-18)11-6-4-3-5-7-11/h3-9,14,16,18-20H,10H2,1-2H3/t14-,16+/m0/s1
InChIKeySCNIXYGAPUAKLU-GOEBONIOSA-N
XLogP1.89
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol
CID 23628742
1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
CID 170819085
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol
CID 171263112
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
CID 13359570
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-sulfanylpropane-1,2-diol
CID 170821135
2-[bromo(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 61095892
3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 16746340
1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene
CID 162411633
2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171226643
(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
CID 171267050
2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207080

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol?
The IUPAC name of (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol (CID 23628905) is (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol.
What is the SMILES notation for (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol?
The canonical SMILES for (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol is COc1cc(O)c([C@H](c2ccccc2)[C@@H](O)CO)c(OC)c1.
What is the InChIKey of (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol?
The InChIKey is SCNIXYGAPUAKLU-GOEBONIOSA-N. The full InChI is InChI=1S/C17H20O5/c1-21-12-8-13(19)17(15(9-12)22-2)16(14(20)10-18)11-6-4-3-5-7-11/h3-9,14,16,18-20H,10H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol?
(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol has a molecular weight of 304.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol is sourced from PubChem (CID 23628905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).