1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol

C15H24O3 — CID 65150827

IUPAC1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H24O3/c1-5-6-11(2)9-14(16)13-8-7-12(17-3)10-15(13)18-4/h7-8,10-11,14,16H,5-6,9H2,1-4H3
InChIKeyZOHMKHOXDIMEGQ-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.56
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol

1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol (PubChem CID 65150827) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
PubChem CID65150827
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H24O3/c1-5-6-11(2)9-14(16)13-8-7-12(17-3)10-15(13)18-4/h7-8,10-11,14,16H,5-6,9H2,1-4H3
InChIKeyZOHMKHOXDIMEGQ-UHFFFAOYSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
CID 115788971
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
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)ethanol
CID 25324308
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
CID 82985587

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol (CID 65150827) is 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol is CCCC(C)CC(O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol?
The InChIKey is ZOHMKHOXDIMEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-6-11(2)9-14(16)13-8-7-12(17-3)10-15(13)18-4/h7-8,10-11,14,16H,5-6,9H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol?
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol is sourced from PubChem (CID 65150827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).