2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol

C18H22O5 — CID 23628742

IUPAC2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol
SMILESCOC[C@H](O)[C@H](c1ccccc1)c1c(O)cc(OC)cc1OC
InChIInChI=1S/C18H22O5/c1-21-11-15(20)17(12-7-5-4-6-8-12)18-14(19)9-13(22-2)10-16(18)23-3/h4-10,15,17,19-20H,11H2,1-3H3/t15-,17-/m0/s1
InChIKeyNCHOYPHMEJGZAF-RDJZCZTQSA-N
MW318.37 g/mol
LogP2.55
Rot. Bonds7

About 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol

2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol (PubChem CID 23628742) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol
PubChem CID23628742
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol
SMILESCOC[C@H](O)[C@H](c1ccccc1)c1c(O)cc(OC)cc1OC
InChIInChI=1S/C18H22O5/c1-21-11-15(20)17(12-7-5-4-6-8-12)18-14(19)9-13(22-2)10-16(18)23-3/h4-10,15,17,19-20H,11H2,1-3H3/t15-,17-/m0/s1
InChIKeyNCHOYPHMEJGZAF-RDJZCZTQSA-N
XLogP2.55
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol
CID 23628905
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol
CID 171263112
1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
CID 170819085
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-sulfanylpropane-1,2-diol
CID 170821135
2-[bromo(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 61095892
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 71540858
1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene
CID 162411633
2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171226643
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
CID 13359570
1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-(2,2,2-trifluoroethyl)phenyl]propan-1-one
CID 146383489
(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
CID 171267050

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol?
The IUPAC name of 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol (CID 23628742) is 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol?
The canonical SMILES for 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol is COC[C@H](O)[C@H](c1ccccc1)c1c(O)cc(OC)cc1OC.
What is the InChIKey of 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol?
The InChIKey is NCHOYPHMEJGZAF-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H22O5/c1-21-11-15(20)17(12-7-5-4-6-8-12)18-14(19)9-13(22-2)10-16(18)23-3/h4-10,15,17,19-20H,11H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol?
2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol has a molecular weight of 318.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 23628742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).