3-(3-bromophenyl)oxolane

C10H11BrO — CID 66521315

IUPAC3-(3-bromophenyl)oxolane
SMILESBrc1cccc(C2CCOC2)c1
InChIInChI=1S/C10H11BrO/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9H,4-5,7H2
InChIKeyPGLRPHLXKQPLLY-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.95
Rot. Bonds1

About 3-(3-bromophenyl)oxolane

3-(3-bromophenyl)oxolane (PubChem CID 66521315) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 3-(3-bromophenyl)oxolane.

Molecular Properties

Compound Name3-(3-bromophenyl)oxolane
PubChem CID66521315
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name3-(3-bromophenyl)oxolane
SMILESBrc1cccc(C2CCOC2)c1
InChIInChI=1S/C10H11BrO/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9H,4-5,7H2
InChIKeyPGLRPHLXKQPLLY-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)oxolane?
The IUPAC name of 3-(3-bromophenyl)oxolane (CID 66521315) is 3-(3-bromophenyl)oxolane.
What is the SMILES notation for 3-(3-bromophenyl)oxolane?
The canonical SMILES for 3-(3-bromophenyl)oxolane is Brc1cccc(C2CCOC2)c1.
What is the InChIKey of 3-(3-bromophenyl)oxolane?
The InChIKey is PGLRPHLXKQPLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9H,4-5,7H2.
What are the key properties of 3-(3-bromophenyl)oxolane?
3-(3-bromophenyl)oxolane has a molecular weight of 227.10 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)oxolane is sourced from PubChem (CID 66521315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).