4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C10H7BrO — CID 71361578

IUPAC4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESBrc1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C10H7BrO/c11-6-1-2-7-8(5-6)10-4-3-9(7)12-10/h1-5,9-10H
InChIKeyHSVGKYBQKBHYEU-UHFFFAOYSA-N
MW223.07 g/mol
LogP3.13
Rot. Bonds

About 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 71361578) has the molecular formula C10H7BrO and a molecular weight of 223.07 g/mol. Its IUPAC name is 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID71361578
Molecular FormulaC10H7BrO
Molecular Weight223.07 g/mol
Exact Mass221.97
IUPAC Name4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESBrc1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C10H7BrO/c11-6-1-2-7-8(5-6)10-4-3-9(7)12-10/h1-5,9-10H
InChIKeyHSVGKYBQKBHYEU-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 119460
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(2S)-2-(4-bromophenyl)oxirane
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2-(4-Bromophenyl)oxolane
CID 14653181
1,4-Dihydro-1,4-epoxynaphthalene
CID 97139
(R)-4-Bromostyrene oxide
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CID 57573841
5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
7-bromo-3,4-dihydro-1H-2-benzopyran
CID 10560525
8-bromo-3,4-dihydro-1H-2-benzopyran
CID 10608622

Frequently Asked Questions

What is the IUPAC name of 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 71361578) is 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is Brc1ccc2c(c1)C1C=CC2O1.
What is the InChIKey of 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is HSVGKYBQKBHYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO/c11-6-1-2-7-8(5-6)10-4-3-9(7)12-10/h1-5,9-10H.
What are the key properties of 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 223.07 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 71361578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).