5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol

C25H24O2 — CID 90644079

IUPAC5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
SMILESCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C25H24O2/c1-2-27-22-14-11-19(12-15-22)25-23(18-7-4-3-5-8-18)10-6-9-20-17-21(26)13-16-24(20)25/h3-5,7-8,11-17,26H,2,6,9-10H2,1H3
InChIKeyKJTZITGZMHOKOP-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.09
Rot. Bonds4

About 5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol

5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol (PubChem CID 90644079) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
PubChem CID90644079
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
SMILESCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C25H24O2/c1-2-27-22-14-11-19(12-15-22)25-23(18-7-4-3-5-8-18)10-6-9-20-17-21(26)13-16-24(20)25/h3-5,7-8,11-17,26H,2,6,9-10H2,1H3
InChIKeyKJTZITGZMHOKOP-UHFFFAOYSA-N
XLogP6.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.09
H-Bond Donors ≤ 51
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-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The IUPAC name of 5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol (CID 90644079) is 5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol.
What is the SMILES notation for 5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The canonical SMILES for 5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol is CCOc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The InChIKey is KJTZITGZMHOKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-2-27-22-14-11-19(12-15-22)25-23(18-7-4-3-5-8-18)10-6-9-20-17-21(26)13-16-24(20)25/h3-5,7-8,11-17,26H,2,6,9-10H2,1H3.
What are the key properties of 5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol?
5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol has a molecular weight of 356.47 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol is sourced from PubChem (CID 90644079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).