5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol

C19H19FO2 — CID 25265720

IUPAC5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
SMILESCCC1=C(c2ccc(O)cc2)CCCc2cc(O)c(F)cc21
InChIInChI=1S/C19H19FO2/c1-2-15-16(12-6-8-14(21)9-7-12)5-3-4-13-10-19(22)18(20)11-17(13)15/h6-11,21-22H,2-5H2,1H3
InChIKeyWQQDLEIFUCHDJA-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.89
Rot. Bonds2

About 5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol

5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol (PubChem CID 25265720) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol.

Molecular Properties

Compound Name5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
PubChem CID25265720
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
SMILESCCC1=C(c2ccc(O)cc2)CCCc2cc(O)c(F)cc21
InChIInChI=1S/C19H19FO2/c1-2-15-16(12-6-8-14(21)9-7-12)5-3-4-13-10-19(22)18(20)11-17(13)15/h6-11,21-22H,2-5H2,1H3
InChIKeyWQQDLEIFUCHDJA-UHFFFAOYSA-N
XLogP4.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.89
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-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The IUPAC name of 5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol (CID 25265720) is 5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol.
What is the SMILES notation for 5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The canonical SMILES for 5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol is CCC1=C(c2ccc(O)cc2)CCCc2cc(O)c(F)cc21.
What is the InChIKey of 5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The InChIKey is WQQDLEIFUCHDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2/c1-2-15-16(12-6-8-14(21)9-7-12)5-3-4-13-10-19(22)18(20)11-17(13)15/h6-11,21-22H,2-5H2,1H3.
What are the key properties of 5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol has a molecular weight of 298.36 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-6-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol is sourced from PubChem (CID 25265720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).