1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol

C14H22O5 — CID 102927728

IUPAC1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
SMILESCOCCOCCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H22O5/c1-16-8-9-19-7-6-13(15)12-5-4-11(17-2)10-14(12)18-3/h4-5,10,13,15H,6-9H2,1-3H3
InChIKeyXLFDFXLKFOYRNI-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.79
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol

1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol (PubChem CID 102927728) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
PubChem CID102927728
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
SMILESCOCCOCCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H22O5/c1-16-8-9-19-7-6-13(15)12-5-4-11(17-2)10-14(12)18-3/h4-5,10,13,15H,6-9H2,1-3H3
InChIKeyXLFDFXLKFOYRNI-UHFFFAOYSA-N
XLogP1.79
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928489
1-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560891
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol
CID 82007414
3-cyclopentyl-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 61088448

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol (CID 102927728) is 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol is COCCOCCC(O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol?
The InChIKey is XLFDFXLKFOYRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-16-8-9-19-7-6-13(15)12-5-4-11(17-2)10-14(12)18-3/h4-5,10,13,15H,6-9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol?
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol has a molecular weight of 270.32 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol is sourced from PubChem (CID 102927728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).