1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol

C13H20O3 — CID 58450006

IUPAC1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(C(O)CC(C)C)cc1OC
InChIInChI=1S/C13H20O3/c1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4/h5-6,8-9,11,14H,7H2,1-4H3
InChIKeyNUZVPIGQLVJYHT-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.78
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol

1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol (PubChem CID 58450006) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
PubChem CID58450006
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(C(O)CC(C)C)cc1OC
InChIInChI=1S/C13H20O3/c1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4/h5-6,8-9,11,14H,7H2,1-4H3
InChIKeyNUZVPIGQLVJYHT-UHFFFAOYSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
3-amino-1-(3,4-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629915
[1-(3,4-dimethoxyphenyl)-3-methylbutyl]azanium
CID 23378141
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
(1S,3R)-3-amino-1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237411
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol (CID 58450006) is 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol is COc1ccc(C(O)CC(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is NUZVPIGQLVJYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4/h5-6,8-9,11,14H,7H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol?
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 58450006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).