1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene

C24H30O2 — CID 54758365

IUPAC1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC(C)C)c(-c2ccc(OC(C)C)c(CC=C)c2)c1
InChIInChI=1S/C24H30O2/c1-7-9-19-11-13-24(26-18(5)6)22(15-19)20-12-14-23(25-17(3)4)21(16-20)10-8-2/h7-8,11-18H,1-2,9-10H2,3-6H3
InChIKeyNGODNGLGTBPYTM-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.39
Rot. Bonds9

About 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene

1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene (PubChem CID 54758365) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
PubChem CID54758365
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC(C)C)c(-c2ccc(OC(C)C)c(CC=C)c2)c1
InChIInChI=1S/C24H30O2/c1-7-9-19-11-13-24(26-18(5)6)22(15-19)20-12-14-23(25-17(3)4)21(16-20)10-8-2/h7-8,11-18H,1-2,9-10H2,3-6H3
InChIKeyNGODNGLGTBPYTM-UHFFFAOYSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
The IUPAC name of 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene (CID 54758365) is 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene.
What is the SMILES notation for 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
The canonical SMILES for 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene is C=CCc1ccc(OC(C)C)c(-c2ccc(OC(C)C)c(CC=C)c2)c1.
What is the InChIKey of 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
The InChIKey is NGODNGLGTBPYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-7-9-19-11-13-24(26-18(5)6)22(15-19)20-12-14-23(25-17(3)4)21(16-20)10-8-2/h7-8,11-18H,1-2,9-10H2,3-6H3.
What are the key properties of 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene has a molecular weight of 350.50 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene is sourced from PubChem (CID 54758365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).