5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene

C22H24O2 — CID 68754223

IUPAC5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene
SMILESC=CC1=C(c2ccc(OCC)cc2)CCCc2cc(OC)ccc21
InChIInChI=1S/C22H24O2/c1-4-20-21(16-9-11-18(12-10-16)24-5-2)8-6-7-17-15-19(23-3)13-14-22(17)20/h4,9-15H,1,5-8H2,2-3H3
InChIKeyUMYBZGNRVGGODS-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.53
Rot. Bonds5

About 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene

5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene (PubChem CID 68754223) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene.

Molecular Properties

Compound Name5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene
PubChem CID68754223
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene
SMILESC=CC1=C(c2ccc(OCC)cc2)CCCc2cc(OC)ccc21
InChIInChI=1S/C22H24O2/c1-4-20-21(16-9-11-18(12-10-16)24-5-2)8-6-7-17-15-19(23-3)13-14-22(17)20/h4,9-15H,1,5-8H2,2-3H3
InChIKeyUMYBZGNRVGGODS-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene?
The IUPAC name of 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene (CID 68754223) is 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene.
What is the SMILES notation for 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene?
The canonical SMILES for 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene is C=CC1=C(c2ccc(OCC)cc2)CCCc2cc(OC)ccc21.
What is the InChIKey of 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene?
The InChIKey is UMYBZGNRVGGODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-4-20-21(16-9-11-18(12-10-16)24-5-2)8-6-7-17-15-19(23-3)13-14-22(17)20/h4,9-15H,1,5-8H2,2-3H3.
What are the key properties of 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene?
5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene has a molecular weight of 320.43 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene is sourced from PubChem (CID 68754223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).