5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol

C19H20O2 — CID 25264696

IUPAC5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
SMILESCCC1=C(c2cccc(O)c2)CCCc2cc(O)ccc21
InChIInChI=1S/C19H20O2/c1-2-17-18(13-5-3-7-15(20)11-13)8-4-6-14-12-16(21)9-10-19(14)17/h3,5,7,9-12,20-21H,2,4,6,8H2,1H3
InChIKeyOKITWFSVZOUBRW-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.75
Rot. Bonds2

About 5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol

5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol (PubChem CID 25264696) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol.

Molecular Properties

Compound Name5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
PubChem CID25264696
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
SMILESCCC1=C(c2cccc(O)c2)CCCc2cc(O)ccc21
InChIInChI=1S/C19H20O2/c1-2-17-18(13-5-3-7-15(20)11-13)8-4-6-14-12-16(21)9-10-19(14)17/h3,5,7,9-12,20-21H,2,4,6,8H2,1H3
InChIKeyOKITWFSVZOUBRW-UHFFFAOYSA-N
XLogP4.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.75
H-Bond Donors ≤ 52
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-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The IUPAC name of 5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol (CID 25264696) is 5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol.
What is the SMILES notation for 5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The canonical SMILES for 5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol is CCC1=C(c2cccc(O)c2)CCCc2cc(O)ccc21.
What is the InChIKey of 5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The InChIKey is OKITWFSVZOUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-17-18(13-5-3-7-15(20)11-13)8-4-6-14-12-16(21)9-10-19(14)17/h3,5,7,9-12,20-21H,2,4,6,8H2,1H3.
What are the key properties of 5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol has a molecular weight of 280.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol is sourced from PubChem (CID 25264696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).