8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one

C18H13BrFNO2 — CID 156876258

IUPAC8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one
SMILESCc1cc(Br)c2oc(N3Cc4ccc(F)cc4C3)cc(=O)c2c1
InChIInChI=1S/C18H13BrFNO2/c1-10-4-14-16(22)7-17(23-18(14)15(19)5-10)21-8-11-2-3-13(20)6-12(11)9-21/h2-7H,8-9H2,1H3
InChIKeyDDFHQHLFDHHLJM-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.52
Rot. Bonds1

About 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one

8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one (PubChem CID 156876258) has the molecular formula C18H13BrFNO2 and a molecular weight of 374.21 g/mol. Its IUPAC name is 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one.

Molecular Properties

Compound Name8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one
PubChem CID156876258
Molecular FormulaC18H13BrFNO2
Molecular Weight374.21 g/mol
Exact Mass373.01
IUPAC Name8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one
SMILESCc1cc(Br)c2oc(N3Cc4ccc(F)cc4C3)cc(=O)c2c1
InChIInChI=1S/C18H13BrFNO2/c1-10-4-14-16(22)7-17(23-18(14)15(19)5-10)21-8-11-2-3-13(20)6-12(11)9-21/h2-7H,8-9H2,1H3
InChIKeyDDFHQHLFDHHLJM-UHFFFAOYSA-N
XLogP4.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one?
The IUPAC name of 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one (CID 156876258) is 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one.
What is the SMILES notation for 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one?
The canonical SMILES for 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one is Cc1cc(Br)c2oc(N3Cc4ccc(F)cc4C3)cc(=O)c2c1.
What is the InChIKey of 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one?
The InChIKey is DDFHQHLFDHHLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO2/c1-10-4-14-16(22)7-17(23-18(14)15(19)5-10)21-8-11-2-3-13(20)6-12(11)9-21/h2-7H,8-9H2,1H3.
What are the key properties of 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one?
8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one has a molecular weight of 374.21 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one is sourced from PubChem (CID 156876258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).