1-(2,3-dimethoxyphenyl)-2-ethoxyethanol

C12H18O4 — CID 79567811

IUPAC1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1cccc(OC)c1OC
InChIInChI=1S/C12H18O4/c1-4-16-8-10(13)9-6-5-7-11(14-2)12(9)15-3/h5-7,10,13H,4,8H2,1-3H3
InChIKeyLKFJYELEOJGIFD-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.77
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol

1-(2,3-dimethoxyphenyl)-2-ethoxyethanol (PubChem CID 79567811) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
PubChem CID79567811
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1cccc(OC)c1OC
InChIInChI=1S/C12H18O4/c1-4-16-8-10(13)9-6-5-7-11(14-2)12(9)15-3/h5-7,10,13H,4,8H2,1-3H3
InChIKeyLKFJYELEOJGIFD-UHFFFAOYSA-N
XLogP1.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethoxyphenyl)-2-propoxyethanol
CID 79567810
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62394370
2-ethoxy-1-(2-methoxynaphthalen-1-yl)ethanol
CID 79566432
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol
CID 14037720
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol (CID 79567811) is 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol is CCOCC(O)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol?
The InChIKey is LKFJYELEOJGIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-16-8-10(13)9-6-5-7-11(14-2)12(9)15-3/h5-7,10,13H,4,8H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol?
1-(2,3-dimethoxyphenyl)-2-ethoxyethanol has a molecular weight of 226.27 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-ethoxyethanol is sourced from PubChem (CID 79567811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).