6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one

C18H17FO2 — CID 132540125

IUPAC6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1(F)OCc1ccccc1
InChIInChI=1S/C18H17FO2/c19-18(21-13-14-7-2-1-3-8-14)12-6-10-15-9-4-5-11-16(15)17(18)20/h1-5,7-9,11H,6,10,12-13H2
InChIKeyFLKSUEZMOADKNF-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.09
Rot. Bonds3

About 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one

6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one (PubChem CID 132540125) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one.

Molecular Properties

Compound Name6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one
PubChem CID132540125
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1(F)OCc1ccccc1
InChIInChI=1S/C18H17FO2/c19-18(21-13-14-7-2-1-3-8-14)12-6-10-15-9-4-5-11-16(15)17(18)20/h1-5,7-9,11H,6,10,12-13H2
InChIKeyFLKSUEZMOADKNF-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one?
The IUPAC name of 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one (CID 132540125) is 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one.
What is the SMILES notation for 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one?
The canonical SMILES for 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one is O=C1c2ccccc2CCCC1(F)OCc1ccccc1.
What is the InChIKey of 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one?
The InChIKey is FLKSUEZMOADKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c19-18(21-13-14-7-2-1-3-8-14)12-6-10-15-9-4-5-11-16(15)17(18)20/h1-5,7-9,11H,6,10,12-13H2.
What are the key properties of 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one?
6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one has a molecular weight of 284.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-phenylmethoxy-8,9-dihydro-7H-benzo[7]annulen-5-one is sourced from PubChem (CID 132540125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).