4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol

C12H18O5 — CID 122207108

IUPAC4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@H](OC)[C@H](C)O)cc(OC)c1O
InChIInChI=1S/C12H18O5/c1-7(13)12(17-4)8-5-9(15-2)11(14)10(6-8)16-3/h5-7,12-14H,1-4H3/t7-,12+/m0/s1
InChIKeyVVEVGZSNVASIHR-JVXZTZIISA-N
MW242.27 g/mol
LogP1.48
Rot. Bonds5

About 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol

4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol (PubChem CID 122207108) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol
PubChem CID122207108
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@H](OC)[C@H](C)O)cc(OC)c1O
InChIInChI=1S/C12H18O5/c1-7(13)12(17-4)8-5-9(15-2)11(14)10(6-8)16-3/h5-7,12-14H,1-4H3/t7-,12+/m0/s1
InChIKeyVVEVGZSNVASIHR-JVXZTZIISA-N
XLogP1.48
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol
CID 155387777
4-(1-bromoethyl)-2,6-dimethoxyphenol
CID 134832276
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
(1S,2S,3R,4S)-1,4-bis(4-hydroxy-3,5-dimethoxyphenyl)-2,3-bis(hydroxymethyl)butane-1,4-diol
CID 162905725
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219342
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
4-[(2R,3R)-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
CID 101057405
(1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
CID 163006112
4-[(1S)-1-amino-3,3-difluoropropyl]-2,6-dimethoxyphenol
CID 171312856
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol (CID 122207108) is 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol is COc1cc([C@H](OC)[C@H](C)O)cc(OC)c1O.
What is the InChIKey of 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol?
The InChIKey is VVEVGZSNVASIHR-JVXZTZIISA-N. The full InChI is InChI=1S/C12H18O5/c1-7(13)12(17-4)8-5-9(15-2)11(14)10(6-8)16-3/h5-7,12-14H,1-4H3/t7-,12+/m0/s1.
What are the key properties of 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol?
4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol has a molecular weight of 242.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 122207108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).