8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one

C12H11BrO2 — CID 167718869

IUPAC8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one
SMILESO=C1CC2(CCC2)Oc2c(Br)cccc21
InChIInChI=1S/C12H11BrO2/c13-9-4-1-3-8-10(14)7-12(5-2-6-12)15-11(8)9/h1,3-4H,2,5-7H2
InChIKeyZEAKJWLXSCNXKY-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.34
Rot. Bonds

About 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one

8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one (PubChem CID 167718869) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one.

Molecular Properties

Compound Name8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one
PubChem CID167718869
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one
SMILESO=C1CC2(CCC2)Oc2c(Br)cccc21
InChIInChI=1S/C12H11BrO2/c13-9-4-1-3-8-10(14)7-12(5-2-6-12)15-11(8)9/h1,3-4H,2,5-7H2
InChIKeyZEAKJWLXSCNXKY-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one?
The IUPAC name of 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one (CID 167718869) is 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one.
What is the SMILES notation for 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one?
The canonical SMILES for 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one is O=C1CC2(CCC2)Oc2c(Br)cccc21.
What is the InChIKey of 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one?
The InChIKey is ZEAKJWLXSCNXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c13-9-4-1-3-8-10(14)7-12(5-2-6-12)15-11(8)9/h1,3-4H,2,5-7H2.
What are the key properties of 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one?
8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one has a molecular weight of 267.12 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one is sourced from PubChem (CID 167718869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).