6-bromo-4-(4-fluorophenyl)-1H-isochromene

C15H10BrFO — CID 141056468

IUPAC6-bromo-4-(4-fluorophenyl)-1H-isochromene
SMILESFc1ccc(C2=COCc3ccc(Br)cc32)cc1
InChIInChI=1S/C15H10BrFO/c16-12-4-1-11-8-18-9-15(14(11)7-12)10-2-5-13(17)6-3-10/h1-7,9H,8H2
InChIKeyWMJOWYMNDSHSKG-UHFFFAOYSA-N
MW305.15 g/mol
LogP4.51
Rot. Bonds1

About 6-bromo-4-(4-fluorophenyl)-1H-isochromene

6-bromo-4-(4-fluorophenyl)-1H-isochromene (PubChem CID 141056468) has the molecular formula C15H10BrFO and a molecular weight of 305.15 g/mol. Its IUPAC name is 6-bromo-4-(4-fluorophenyl)-1H-isochromene.

Molecular Properties

Compound Name6-bromo-4-(4-fluorophenyl)-1H-isochromene
PubChem CID141056468
Molecular FormulaC15H10BrFO
Molecular Weight305.15 g/mol
Exact Mass303.99
IUPAC Name6-bromo-4-(4-fluorophenyl)-1H-isochromene
SMILESFc1ccc(C2=COCc3ccc(Br)cc32)cc1
InChIInChI=1S/C15H10BrFO/c16-12-4-1-11-8-18-9-15(14(11)7-12)10-2-5-13(17)6-3-10/h1-7,9H,8H2
InChIKeyWMJOWYMNDSHSKG-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-fluorophenyl)-1H-isochromene?
The IUPAC name of 6-bromo-4-(4-fluorophenyl)-1H-isochromene (CID 141056468) is 6-bromo-4-(4-fluorophenyl)-1H-isochromene.
What is the SMILES notation for 6-bromo-4-(4-fluorophenyl)-1H-isochromene?
The canonical SMILES for 6-bromo-4-(4-fluorophenyl)-1H-isochromene is Fc1ccc(C2=COCc3ccc(Br)cc32)cc1.
What is the InChIKey of 6-bromo-4-(4-fluorophenyl)-1H-isochromene?
The InChIKey is WMJOWYMNDSHSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO/c16-12-4-1-11-8-18-9-15(14(11)7-12)10-2-5-13(17)6-3-10/h1-7,9H,8H2.
What are the key properties of 6-bromo-4-(4-fluorophenyl)-1H-isochromene?
6-bromo-4-(4-fluorophenyl)-1H-isochromene has a molecular weight of 305.15 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(4-fluorophenyl)-1H-isochromene is sourced from PubChem (CID 141056468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).