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

C14H22O4 — CID 105095984

IUPAC1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
SMILESCCCOCCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H22O4/c1-4-8-18-9-7-13(15)12-6-5-11(16-2)10-14(12)17-3/h5-6,10,13,15H,4,7-9H2,1-3H3
InChIKeySTKILJDZIYWULG-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.55
Rot. Bonds8

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

1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol (PubChem CID 105095984) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
PubChem CID105095984
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
SMILESCCCOCCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H22O4/c1-4-8-18-9-7-13(15)12-6-5-11(16-2)10-14(12)17-3/h5-6,10,13,15H,4,7-9H2,1-3H3
InChIKeySTKILJDZIYWULG-UHFFFAOYSA-N
XLogP2.55
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
CID 82941941
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol
CID 82007414

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol (CID 105095984) is 1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol is CCCOCCC(O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol?
The InChIKey is STKILJDZIYWULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-8-18-9-7-13(15)12-6-5-11(16-2)10-14(12)17-3/h5-6,10,13,15H,4,7-9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol?
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol is sourced from PubChem (CID 105095984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).