1-(3,4-dimethoxyphenyl)-1-phenylethanol

C16H18O3 — CID 55116125

IUPAC1-(3,4-dimethoxyphenyl)-1-phenylethanol
SMILESCOc1ccc(C(C)(O)c2ccccc2)cc1OC
InChIInChI=1S/C16H18O3/c1-16(17,12-7-5-4-6-8-12)13-9-10-14(18-2)15(11-13)19-3/h4-11,17H,1-3H3
InChIKeySKWLIJBASNCZMB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.96
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-1-phenylethanol

1-(3,4-dimethoxyphenyl)-1-phenylethanol (PubChem CID 55116125) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-1-phenylethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-1-phenylethanol
PubChem CID55116125
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-(3,4-dimethoxyphenyl)-1-phenylethanol
SMILESCOc1ccc(C(C)(O)c2ccccc2)cc1OC
InChIInChI=1S/C16H18O3/c1-16(17,12-7-5-4-6-8-12)13-9-10-14(18-2)15(11-13)19-3/h4-11,17H,1-3H3
InChIKeySKWLIJBASNCZMB-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
CID 79711700
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
CID 118041037
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol
CID 134913621
4-(3,4-dimethoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 146003165
(1S)-1-(3,4-diaminophenyl)-1-phenylethanol
CID 124563063
2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118535888

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-1-phenylethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-1-phenylethanol (CID 55116125) is 1-(3,4-dimethoxyphenyl)-1-phenylethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-1-phenylethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-1-phenylethanol is COc1ccc(C(C)(O)c2ccccc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-1-phenylethanol?
The InChIKey is SKWLIJBASNCZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-16(17,12-7-5-4-6-8-12)13-9-10-14(18-2)15(11-13)19-3/h4-11,17H,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-1-phenylethanol?
1-(3,4-dimethoxyphenyl)-1-phenylethanol has a molecular weight of 258.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-1-phenylethanol is sourced from PubChem (CID 55116125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).