5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one

C12H11BrO2 — CID 145466858

IUPAC5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one
SMILESCc1c(Br)c2c(c3c1OCC3)C(=O)CC2
InChIInChI=1S/C12H11BrO2/c1-6-11(13)7-2-3-9(14)10(7)8-4-5-15-12(6)8/h2-5H2,1H3
InChIKeyNGKNBBWAZWMVHW-UHFFFAOYSA-N
MW267.12 g/mol
LogP2.82
Rot. Bonds

About 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one

5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one (PubChem CID 145466858) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one.

Molecular Properties

Compound Name5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one
PubChem CID145466858
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one
SMILESCc1c(Br)c2c(c3c1OCC3)C(=O)CC2
InChIInChI=1S/C12H11BrO2/c1-6-11(13)7-2-3-9(14)10(7)8-4-5-15-12(6)8/h2-5H2,1H3
InChIKeyNGKNBBWAZWMVHW-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one?
The IUPAC name of 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one (CID 145466858) is 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one.
What is the SMILES notation for 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one?
The canonical SMILES for 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one is Cc1c(Br)c2c(c3c1OCC3)C(=O)CC2.
What is the InChIKey of 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one?
The InChIKey is NGKNBBWAZWMVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-6-11(13)7-2-3-9(14)10(7)8-4-5-15-12(6)8/h2-5H2,1H3.
What are the key properties of 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one?
5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one has a molecular weight of 267.12 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one is sourced from PubChem (CID 145466858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).