2-(4-bromophenyl)oxolane

C10H11BrO — CID 14653181

IUPAC2-(4-bromophenyl)oxolane
SMILESBrc1ccc(C2CCCO2)cc1
InChIInChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10H,1-2,7H2
InChIKeyOUJWSBTVHIGHIS-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.30
Rot. Bonds1

About 2-(4-bromophenyl)oxolane

2-(4-bromophenyl)oxolane (PubChem CID 14653181) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)oxolane.

Molecular Properties

Compound Name2-(4-bromophenyl)oxolane
PubChem CID14653181
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name2-(4-bromophenyl)oxolane
SMILESBrc1ccc(C2CCCO2)cc1
InChIInChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10H,1-2,7H2
InChIKeyOUJWSBTVHIGHIS-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)oxolane?
The IUPAC name of 2-(4-bromophenyl)oxolane (CID 14653181) is 2-(4-bromophenyl)oxolane.
What is the SMILES notation for 2-(4-bromophenyl)oxolane?
The canonical SMILES for 2-(4-bromophenyl)oxolane is Brc1ccc(C2CCCO2)cc1.
What is the InChIKey of 2-(4-bromophenyl)oxolane?
The InChIKey is OUJWSBTVHIGHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10H,1-2,7H2.
What are the key properties of 2-(4-bromophenyl)oxolane?
2-(4-bromophenyl)oxolane has a molecular weight of 227.10 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)oxolane is sourced from PubChem (CID 14653181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).