2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol

C18H22O3 — CID 103465435

IUPAC2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H22O3/c1-13-10-11-16(17(21-4)14(13)2)18(19,12-20-3)15-8-6-5-7-9-15/h5-11,19H,12H2,1-4H3
InChIKeyLZPYPRDMCXNVRD-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.19
Rot. Bonds5

About 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol

2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol (PubChem CID 103465435) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol
PubChem CID103465435
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H22O3/c1-13-10-11-16(17(21-4)14(13)2)18(19,12-20-3)15-8-6-5-7-9-15/h5-11,19H,12H2,1-4H3
InChIKeyLZPYPRDMCXNVRD-UHFFFAOYSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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(2S,3R,4R,5S,6R)-2-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl)-2-methoxy-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol?
The IUPAC name of 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol (CID 103465435) is 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol.
What is the SMILES notation for 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol?
The canonical SMILES for 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol is COCC(O)(c1ccccc1)c1ccc(C)c(C)c1OC.
What is the InChIKey of 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol?
The InChIKey is LZPYPRDMCXNVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-13-10-11-16(17(21-4)14(13)2)18(19,12-20-3)15-8-6-5-7-9-15/h5-11,19H,12H2,1-4H3.
What are the key properties of 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol?
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol has a molecular weight of 286.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol is sourced from PubChem (CID 103465435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).