4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol

C17H20O5 — CID 744362

IUPAC4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol
SMILESCOc1cc([C@H](O)[C@@H](C)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C17H20O5/c1-11(22-15-7-5-4-6-14(15)20-2)17(19)12-8-9-13(18)16(10-12)21-3/h4-11,17-19H,1-3H3/t11-,17-/m1/s1
InChIKeyQJGIDXOMZMVHIJ-PIGZYNQJSA-N
MW304.34 g/mol
LogP2.91
Rot. Bonds6

About 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol

4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol (PubChem CID 744362) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol
PubChem CID744362
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol
SMILESCOc1cc([C@H](O)[C@@H](C)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C17H20O5/c1-11(22-15-7-5-4-6-14(15)20-2)17(19)12-8-9-13(18)16(10-12)21-3/h4-11,17-19H,1-3H3/t11-,17-/m1/s1
InChIKeyQJGIDXOMZMVHIJ-PIGZYNQJSA-N
XLogP2.91
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol
CID 71407033
2-[4-[2-[4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 132938044
4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
CID 58361160
1-deuterio-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propan-1-ol
CID 122224274
1-[4-[1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]phenyl]ethanone
CID 101366320
bis(1-(1,3-benzodioxol-5-yl)-2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol);4-[2-[4-[5-[4-[1-(1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-hydroxypropyl]-2-methoxyphenol;1-(3,4-dimethoxyphenyl)-2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol
CID 160989339
1-(4-hydroxy-3-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171873963
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 56838657
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 55112135
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol?
The IUPAC name of 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol (CID 744362) is 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol is COc1cc([C@H](O)[C@@H](C)Oc2ccccc2OC)ccc1O.
What is the InChIKey of 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol?
The InChIKey is QJGIDXOMZMVHIJ-PIGZYNQJSA-N. The full InChI is InChI=1S/C17H20O5/c1-11(22-15-7-5-4-6-14(15)20-2)17(19)12-8-9-13(18)16(10-12)21-3/h4-11,17-19H,1-3H3/t11-,17-/m1/s1.
What are the key properties of 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol?
4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol has a molecular weight of 304.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol is sourced from PubChem (CID 744362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).