2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol

C11H16O4 — CID 155387777

IUPAC2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol
SMILESCOc1cc([C@@H](C)OC)cc(OC)c1O
InChIInChI=1S/C11H16O4/c1-7(13-2)8-5-9(14-3)11(12)10(6-8)15-4/h5-7,12H,1-4H3/t7-/m1/s1
InChIKeyPRTXDTYLDLUMGX-SSDOTTSWSA-N
MW212.24 g/mol
LogP2.12
Rot. Bonds4

About 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol

2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol (PubChem CID 155387777) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol
PubChem CID155387777
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol
SMILESCOc1cc([C@@H](C)OC)cc(OC)c1O
InChIInChI=1S/C11H16O4/c1-7(13-2)8-5-9(14-3)11(12)10(6-8)15-4/h5-7,12H,1-4H3/t7-/m1/s1
InChIKeyPRTXDTYLDLUMGX-SSDOTTSWSA-N
XLogP2.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-bromoethyl)-2,6-dimethoxyphenol
CID 134832276
4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol
CID 122207108
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-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219344
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
(1S,2S,3R,4S)-1,4-bis(4-hydroxy-3,5-dimethoxyphenyl)-2,3-bis(hydroxymethyl)butane-1,4-diol
CID 162905725
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296
4-[(1S)-1-aminoprop-2-enyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219306

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol (CID 155387777) is 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol is COc1cc([C@@H](C)OC)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol?
The InChIKey is PRTXDTYLDLUMGX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(13-2)8-5-9(14-3)11(12)10(6-8)15-4/h5-7,12H,1-4H3/t7-/m1/s1.
What are the key properties of 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol?
2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol has a molecular weight of 212.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol is sourced from PubChem (CID 155387777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).