1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene

C26H34O2 — CID 127046164

IUPAC1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCC)c(-c2ccc(OCCCC)c(CC=C)c2)c1
InChIInChI=1S/C26H34O2/c1-5-9-17-27-25-16-14-22(20-23(25)12-8-4)24-19-21(11-7-3)13-15-26(24)28-18-10-6-2/h7-8,13-16,19-20H,3-6,9-12,17-18H2,1-2H3
InChIKeyODWDFPJIMBBBFF-UHFFFAOYSA-N
MW378.56 g/mol
LogP7.17
Rot. Bonds13

About 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene

1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene (PubChem CID 127046164) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
PubChem CID127046164
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCC)c(-c2ccc(OCCCC)c(CC=C)c2)c1
InChIInChI=1S/C26H34O2/c1-5-9-17-27-25-16-14-22(20-23(25)12-8-4)24-19-21(11-7-3)13-15-26(24)28-18-10-6-2/h7-8,13-16,19-20H,3-6,9-12,17-18H2,1-2H3
InChIKeyODWDFPJIMBBBFF-UHFFFAOYSA-N
XLogP7.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
The IUPAC name of 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene (CID 127046164) is 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene.
What is the SMILES notation for 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
The canonical SMILES for 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene is C=CCc1ccc(OCCCC)c(-c2ccc(OCCCC)c(CC=C)c2)c1.
What is the InChIKey of 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
The InChIKey is ODWDFPJIMBBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c1-5-9-17-27-25-16-14-22(20-23(25)12-8-4)24-19-21(11-7-3)13-15-26(24)28-18-10-6-2/h7-8,13-16,19-20H,3-6,9-12,17-18H2,1-2H3.
What are the key properties of 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene has a molecular weight of 378.56 g/mol, XLogP of 7.17, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-(4-butoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene is sourced from PubChem (CID 127046164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).