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

C17H14F2O2 — CID 25265425

IUPAC6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
SMILESOc1ccc2c(c1)CCCC(c1cc(F)c(O)c(F)c1)=C2
InChIInChI=1S/C17H14F2O2/c18-15-8-13(9-16(19)17(15)21)10-2-1-3-11-7-14(20)5-4-12(11)6-10/h4-9,20-21H,1-3H2
InChIKeyGBDKLQVQGFMYIG-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.25
Rot. Bonds1

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

6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol (PubChem CID 25265425) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol.

Molecular Properties

Compound Name6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
PubChem CID25265425
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
SMILESOc1ccc2c(c1)CCCC(c1cc(F)c(O)c(F)c1)=C2
InChIInChI=1S/C17H14F2O2/c18-15-8-13(9-16(19)17(15)21)10-2-1-3-11-7-14(20)5-4-12(11)6-10/h4-9,20-21H,1-3H2
InChIKeyGBDKLQVQGFMYIG-UHFFFAOYSA-N
XLogP4.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.25
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 6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The IUPAC name of 6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol (CID 25265425) is 6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol.
What is the SMILES notation for 6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The canonical SMILES for 6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol is Oc1ccc2c(c1)CCCC(c1cc(F)c(O)c(F)c1)=C2.
What is the InChIKey of 6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
The InChIKey is GBDKLQVQGFMYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c18-15-8-13(9-16(19)17(15)21)10-2-1-3-11-7-14(20)5-4-12(11)6-10/h4-9,20-21H,1-3H2.
What are the key properties of 6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol?
6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol has a molecular weight of 288.29 g/mol, XLogP of 4.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol is sourced from PubChem (CID 25265425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).