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

C24H32O4 — CID 11717940

IUPAC3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol
SMILESC=CCOc1ccc(C(O)CC(CCCC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H32O4/c1-5-7-8-19(22-14-13-21(26-3)17-24(22)27-4)16-23(25)18-9-11-20(12-10-18)28-15-6-2/h6,9-14,17,19,23,25H,2,5,7-8,15-16H2,1,3-4H3
InChIKeyLMPSGVGQPZHEPO-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.67
Rot. Bonds12

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

3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol (PubChem CID 11717940) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol
PubChem CID11717940
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol
SMILESC=CCOc1ccc(C(O)CC(CCCC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H32O4/c1-5-7-8-19(22-14-13-21(26-3)17-24(22)27-4)16-23(25)18-9-11-20(12-10-18)28-15-6-2/h6,9-14,17,19,23,25H,2,5,7-8,15-16H2,1,3-4H3
InChIKeyLMPSGVGQPZHEPO-UHFFFAOYSA-N
XLogP5.67
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.67
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)pentan-1-ol
CID 11681930
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
CID 61087943
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol (CID 11717940) is 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol is C=CCOc1ccc(C(O)CC(CCCC)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol?
The InChIKey is LMPSGVGQPZHEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-5-7-8-19(22-14-13-21(26-3)17-24(22)27-4)16-23(25)18-9-11-20(12-10-18)28-15-6-2/h6,9-14,17,19,23,25H,2,5,7-8,15-16H2,1,3-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol?
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)heptan-1-ol has a molecular weight of 384.52 g/mol, XLogP of 5.67, 12 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)heptan-1-ol is sourced from PubChem (CID 11717940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).