1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol

C14H22O3 — CID 65151048

IUPAC1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cccc(OC)c1OC
InChIInChI=1S/C14H22O3/c1-5-10(2)9-12(15)11-7-6-8-13(16-3)14(11)17-4/h6-8,10,12,15H,5,9H2,1-4H3
InChIKeyLJTKITJEXFQKPP-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.17
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol

1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol (PubChem CID 65151048) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
PubChem CID65151048
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cccc(OC)c1OC
InChIInChI=1S/C14H22O3/c1-5-10(2)9-12(15)11-7-6-8-13(16-3)14(11)17-4/h6-8,10,12,15H,5,9H2,1-4H3
InChIKeyLJTKITJEXFQKPP-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-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
1-(2,3-dimethoxyphenyl)-2-propoxyethanol
CID 79567810
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171266758
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
1-(3-methoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 83951052

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol (CID 65151048) is 1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol is CCC(C)CC(O)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol?
The InChIKey is LJTKITJEXFQKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-10(2)9-12(15)11-7-6-8-13(16-3)14(11)17-4/h6-8,10,12,15H,5,9H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol?
1-(2,3-dimethoxyphenyl)-3-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-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol is sourced from PubChem (CID 65151048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).