1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol

C17H20O4 — CID 103465566

IUPAC1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1c(OC)cccc1OC
InChIInChI=1S/C17H20O4/c1-19-12-17(18,13-8-5-4-6-9-13)16-14(20-2)10-7-11-15(16)21-3/h4-11,18H,12H2,1-3H3
InChIKeyKGWBLGOMGMKPIA-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.59
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol

1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol (PubChem CID 103465566) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol
PubChem CID103465566
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1c(OC)cccc1OC
InChIInChI=1S/C17H20O4/c1-19-12-17(18,13-8-5-4-6-9-13)16-14(20-2)10-7-11-15(16)21-3/h4-11,18H,12H2,1-3H3
InChIKeyKGWBLGOMGMKPIA-UHFFFAOYSA-N
XLogP2.59
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
CID 116809834
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
1-(2-ethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465363
2-methoxy-1-(4-methylphenyl)-1-phenylethanol
CID 50903538
2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103465713
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol
CID 103465435
1-methoxy-3-methyl-2-phenylpentan-2-ol
CID 103465659
1-methoxy-2-phenylpentan-2-ol
CID 79566426
CID 134904157
CID 134904157
1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol
CID 103465512
1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
2-methoxy-1-phenyl-1-(2-propylpyrazol-3-yl)ethanol
CID 103465225

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol (CID 103465566) is 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol is COCC(O)(c1ccccc1)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol?
The InChIKey is KGWBLGOMGMKPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-19-12-17(18,13-8-5-4-6-9-13)16-14(20-2)10-7-11-15(16)21-3/h4-11,18H,12H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol?
1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol has a molecular weight of 288.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol is sourced from PubChem (CID 103465566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).