1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol

C14H22O3 — CID 61088835

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

About 1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol

1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol (PubChem CID 61088835) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
PubChem CID61088835
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)C)c(OC)c1
InChIInChI=1S/C14H22O3/c1-10(2)5-8-13(15)12-7-6-11(16-3)9-14(12)17-4/h6-7,9-10,13,15H,5,8H2,1-4H3
InChIKeyOFVQRZDZGFQZAR-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

4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
3-cyclopentyl-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 61088448

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol (CID 61088835) is 1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol is COc1ccc(C(O)CCC(C)C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol?
The InChIKey is OFVQRZDZGFQZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(2)5-8-13(15)12-7-6-11(16-3)9-14(12)17-4/h6-7,9-10,13,15H,5,8H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol?
1-(2,4-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-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 61088835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).