2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol

C28H26O2 — CID 54299704

IUPAC2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol
SMILESCC=Cc1c(C=Cc2ccccc2)c(C=Cc2ccccc2)cc(O)c1CC1CO1
InChIInChI=1S/C28H26O2/c1-2-9-26-25(17-15-22-12-7-4-8-13-22)23(16-14-21-10-5-3-6-11-21)18-28(29)27(26)19-24-20-30-24/h2-18,24,29H,19-20H2,1H3
InChIKeySDIIEUKUTLUJIL-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.71
Rot. Bonds7

About 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol

2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol (PubChem CID 54299704) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol
PubChem CID54299704
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol
SMILESCC=Cc1c(C=Cc2ccccc2)c(C=Cc2ccccc2)cc(O)c1CC1CO1
InChIInChI=1S/C28H26O2/c1-2-9-26-25(17-15-22-12-7-4-8-13-22)23(16-14-21-10-5-3-6-11-21)18-28(29)27(26)19-24-20-30-24/h2-18,24,29H,19-20H2,1H3
InChIKeySDIIEUKUTLUJIL-UHFFFAOYSA-N
XLogP6.71
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol?
The IUPAC name of 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol (CID 54299704) is 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol?
The canonical SMILES for 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol is CC=Cc1c(C=Cc2ccccc2)c(C=Cc2ccccc2)cc(O)c1CC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol?
The InChIKey is SDIIEUKUTLUJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-2-9-26-25(17-15-22-12-7-4-8-13-22)23(16-14-21-10-5-3-6-11-21)18-28(29)27(26)19-24-20-30-24/h2-18,24,29H,19-20H2,1H3.
What are the key properties of 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol?
2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol has a molecular weight of 394.51 g/mol, XLogP of 6.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)-4,5-bis(2-phenylethenyl)-3-prop-1-enylphenol is sourced from PubChem (CID 54299704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).