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

C14H22O3 — CID 113302772

IUPAC2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(C(C)(O)C(C)(C)C)cc1OC
InChIInChI=1S/C14H22O3/c1-13(2,3)14(4,15)10-7-8-11(16-5)12(9-10)17-6/h7-9,15H,1-6H3
InChIKeyYZLDVTMGOCTRNY-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.96
Rot. Bonds3

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

2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol (PubChem CID 113302772) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
PubChem CID113302772
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(C(C)(O)C(C)(C)C)cc1OC
InChIInChI=1S/C14H22O3/c1-13(2,3)14(4,15)10-7-8-11(16-5)12(9-10)17-6/h7-9,15H,1-6H3
InChIKeyYZLDVTMGOCTRNY-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118535888
1,1-bis(3,4-dimethoxyphenyl)prop-2-yn-1-ol
CID 20771267
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol
CID 114794874
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
CID 82133157
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol
CID 113490189
4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
CID 118041037

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol (CID 113302772) is 2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol is COc1ccc(C(C)(O)C(C)(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is YZLDVTMGOCTRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-13(2,3)14(4,15)10-7-8-11(16-5)12(9-10)17-6/h7-9,15H,1-6H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol?
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 113302772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).