3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol

C22H28O4 — CID 11681930

IUPAC3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol
SMILESC=CCOc1ccc(C(O)CC(CC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C22H28O4/c1-5-13-26-18-9-7-17(8-10-18)21(23)14-16(6-2)20-12-11-19(24-3)15-22(20)25-4/h5,7-12,15-16,21,23H,1,6,13-14H2,2-4H3
InChIKeyALNNSQCKTHMIRA-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.89
Rot. Bonds10

About 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol

3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol (PubChem CID 11681930) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol
PubChem CID11681930
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol
SMILESC=CCOc1ccc(C(O)CC(CC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C22H28O4/c1-5-13-26-18-9-7-17(8-10-18)21(23)14-16(6-2)20-12-11-19(24-3)15-22(20)25-4/h5,7-12,15-16,21,23H,1,6,13-14H2,2-4H3
InChIKeyALNNSQCKTHMIRA-UHFFFAOYSA-N
XLogP4.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol
CID 11717940
1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol
CID 11667808
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
CID 82920608
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827
(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
CID 61087943
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
CID 11558906
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol (CID 11681930) is 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol is C=CCOc1ccc(C(O)CC(CC)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol?
The InChIKey is ALNNSQCKTHMIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-5-13-26-18-9-7-17(8-10-18)21(23)14-16(6-2)20-12-11-19(24-3)15-22(20)25-4/h5,7-12,15-16,21,23H,1,6,13-14H2,2-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol?
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol has a molecular weight of 356.46 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol is sourced from PubChem (CID 11681930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).