1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol

C15H24O4 — CID 116713087

IUPAC1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
SMILESCOc1ccc(C(O)C(OC)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H24O4/c1-15(2,3)14(19-6)13(16)11-8-7-10(17-4)9-12(11)18-5/h7-9,13-14,16H,1-6H3
InChIKeyQWFHMUHWNNRNMS-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.80
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol

1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol (PubChem CID 116713087) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
PubChem CID116713087
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
SMILESCOc1ccc(C(O)C(OC)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H24O4/c1-15(2,3)14(19-6)13(16)11-8-7-10(17-4)9-12(11)18-5/h7-9,13-14,16H,1-6H3
InChIKeyQWFHMUHWNNRNMS-UHFFFAOYSA-N
XLogP2.80
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 116713378
1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724315
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
3-bromo-1-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 171860275
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 79137198
(1S,2R)-1-amino-1-(2,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 96592127
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
[1-(2,4-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105203197
1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
CID 116911329
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol (CID 116713087) is 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol is COc1ccc(C(O)C(OC)C(C)(C)C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol?
The InChIKey is QWFHMUHWNNRNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-15(2,3)14(19-6)13(16)11-8-7-10(17-4)9-12(11)18-5/h7-9,13-14,16H,1-6H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol?
1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol has a molecular weight of 268.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 116713087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).