2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene

C24H32O3 — CID 11516185

IUPAC2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene
SMILESC=CCOc1ccc(CCC(CCCC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H32O3/c1-5-7-8-20(23-16-15-22(25-3)18-24(23)26-4)12-9-19-10-13-21(14-11-19)27-17-6-2/h6,10-11,13-16,18,20H,2,5,7-9,12,17H2,1,3-4H3
InChIKeyHYPCAFXIZKBANS-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.18
Rot. Bonds12

About 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene

2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene (PubChem CID 11516185) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene
PubChem CID11516185
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene
SMILESC=CCOc1ccc(CCC(CCCC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H32O3/c1-5-7-8-20(23-16-15-22(25-3)18-24(23)26-4)12-9-19-10-13-21(14-11-19)27-17-6-2/h6,10-11,13-16,18,20H,2,5,7-9,12,17H2,1,3-4H3
InChIKeyHYPCAFXIZKBANS-UHFFFAOYSA-N
XLogP6.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene (CID 11516185) is 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene is C=CCOc1ccc(CCC(CCCC)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene?
The InChIKey is HYPCAFXIZKBANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-5-7-8-20(23-16-15-22(25-3)18-24(23)26-4)12-9-19-10-13-21(14-11-19)27-17-6-2/h6,10-11,13-16,18,20H,2,5,7-9,12,17H2,1,3-4H3.
What are the key properties of 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene?
2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene has a molecular weight of 368.52 g/mol, XLogP of 6.18, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene is sourced from PubChem (CID 11516185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).