8-bromo-1H-benzo[g]isochromen-4-one

C13H9BrO2 — CID 139338380

IUPAC8-bromo-1H-benzo[g]isochromen-4-one
SMILESO=C1COCc2cc3cc(Br)ccc3cc21
InChIInChI=1S/C13H9BrO2/c14-11-2-1-8-5-12-10(3-9(8)4-11)6-16-7-13(12)15/h1-5H,6-7H2
InChIKeyUUEXCEURHVMDGR-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.32
Rot. Bonds

About 8-bromo-1H-benzo[g]isochromen-4-one

8-bromo-1H-benzo[g]isochromen-4-one (PubChem CID 139338380) has the molecular formula C13H9BrO2 and a molecular weight of 277.12 g/mol. Its IUPAC name is 8-bromo-1H-benzo[g]isochromen-4-one.

Molecular Properties

Compound Name8-bromo-1H-benzo[g]isochromen-4-one
PubChem CID139338380
Molecular FormulaC13H9BrO2
Molecular Weight277.12 g/mol
Exact Mass275.98
IUPAC Name8-bromo-1H-benzo[g]isochromen-4-one
SMILESO=C1COCc2cc3cc(Br)ccc3cc21
InChIInChI=1S/C13H9BrO2/c14-11-2-1-8-5-12-10(3-9(8)4-11)6-16-7-13(12)15/h1-5H,6-7H2
InChIKeyUUEXCEURHVMDGR-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-
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2-Bromo-6-methoxycarbonylnaphthalene
CID 854134
12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
CID 3663371
5-Bromobenzo[de]isochromene-1,3-dione
CID 3907491
[3-(4-Bromophenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 46886657
Methyl 5-bromo-2-naphthoate
CID 13477022
2-Oxo-2-phenylethyl 5-bromo-2,3,4-trimethylbenzoate
CID 16439762
2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester
CID 10945333
Isopropyl 1-bromo-2-naphthoate
CID 12985025
2-(2-(4-Bromophenyl)-2-oxoethylidene)-5-(2,4-dimethylphenyl)-3(2H)-furanone
CID 5468713
[(1S,2S)-2-ethenyl-2,6-dimethyl-1-naphthalen-2-ylhept-5-enyl] 4-bromobenzoate
CID 12173037

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1H-benzo[g]isochromen-4-one?
The IUPAC name of 8-bromo-1H-benzo[g]isochromen-4-one (CID 139338380) is 8-bromo-1H-benzo[g]isochromen-4-one.
What is the SMILES notation for 8-bromo-1H-benzo[g]isochromen-4-one?
The canonical SMILES for 8-bromo-1H-benzo[g]isochromen-4-one is O=C1COCc2cc3cc(Br)ccc3cc21.
What is the InChIKey of 8-bromo-1H-benzo[g]isochromen-4-one?
The InChIKey is UUEXCEURHVMDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2/c14-11-2-1-8-5-12-10(3-9(8)4-11)6-16-7-13(12)15/h1-5H,6-7H2.
What are the key properties of 8-bromo-1H-benzo[g]isochromen-4-one?
8-bromo-1H-benzo[g]isochromen-4-one has a molecular weight of 277.12 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1H-benzo[g]isochromen-4-one is sourced from PubChem (CID 139338380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).