5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol

C17H20O5 — CID 162866825

IUPAC5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](CO)[C@@H](OC)c2ccc(O)cc2)cc1O
InChIInChI=1S/C17H20O5/c1-21-16-8-5-12(9-15(16)20)14(10-18)17(22-2)11-3-6-13(19)7-4-11/h3-9,14,17-20H,10H2,1-2H3/t14-,17+/m1/s1
InChIKeyIOFCTFGFCBIVAN-PBHICJAKSA-N
MW304.34 g/mol
LogP2.57
Rot. Bonds6

About 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol

5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol (PubChem CID 162866825) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol
PubChem CID162866825
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](CO)[C@@H](OC)c2ccc(O)cc2)cc1O
InChIInChI=1S/C17H20O5/c1-21-16-8-5-12(9-15(16)20)14(10-18)17(22-2)11-3-6-13(19)7-4-11/h3-9,14,17-20H,10H2,1-2H3/t14-,17+/m1/s1
InChIKeyIOFCTFGFCBIVAN-PBHICJAKSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol (CID 162866825) is 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol is COc1ccc([C@@H](CO)[C@@H](OC)c2ccc(O)cc2)cc1O.
What is the InChIKey of 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol?
The InChIKey is IOFCTFGFCBIVAN-PBHICJAKSA-N. The full InChI is InChI=1S/C17H20O5/c1-21-16-8-5-12(9-15(16)20)14(10-18)17(22-2)11-3-6-13(19)7-4-11/h3-9,14,17-20H,10H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol?
5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol has a molecular weight of 304.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol is sourced from PubChem (CID 162866825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).