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

C14H22O3 — CID 61099857

IUPAC1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)C)cc1OC
InChIInChI=1S/C14H22O3/c1-10(2)5-7-12(15)11-6-8-13(16-3)14(9-11)17-4/h6,8-10,12,15H,5,7H2,1-4H3
InChIKeyMUBAWRFUFUNYTO-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.17
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol (PubChem CID 61099857) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
PubChem CID61099857
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)C)cc1OC
InChIInChI=1S/C14H22O3/c1-10(2)5-7-12(15)11-6-8-13(16-3)14(9-11)17-4/h6,8-10,12,15H,5,7H2,1-4H3
InChIKeyMUBAWRFUFUNYTO-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 102233999
[3-(3,4-dimethoxyphenyl)-3-hydroxypropyl]-triphenylphosphanium
CID 11284069
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol (CID 61099857) is 1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol is COc1ccc(C(O)CCC(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol?
The InChIKey is MUBAWRFUFUNYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(2)5-7-12(15)11-6-8-13(16-3)14(9-11)17-4/h6,8-10,12,15H,5,7H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol?
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 61099857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).