1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol

C17H20O4 — CID 62787623

IUPAC1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H20O4/c1-17(18,12-6-5-7-14(10-12)19-2)13-8-9-15(20-3)16(11-13)21-4/h5-11,18H,1-4H3
InChIKeySFGVMKCEPRXCDK-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.97
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol

1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol (PubChem CID 62787623) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
PubChem CID62787623
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H20O4/c1-17(18,12-6-5-7-14(10-12)19-2)13-8-9-15(20-3)16(11-13)21-4/h5-11,18H,1-4H3
InChIKeySFGVMKCEPRXCDK-UHFFFAOYSA-N
XLogP2.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792
1-(2-methoxy-5-methylphenyl)-1-(3-methoxyphenyl)ethanol
CID 62795740
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate
CID 22408189
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
bis(3-methoxyphenyl)-(4-methylphenyl)methanol
CID 2758428
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol (CID 62787623) is 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(C)(O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol?
The InChIKey is SFGVMKCEPRXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-17(18,12-6-5-7-14(10-12)19-2)13-8-9-15(20-3)16(11-13)21-4/h5-11,18H,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol?
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol has a molecular weight of 288.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 62787623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).