3-[(4-bromophenyl)methoxy]oxolan-2-one

C11H11BrO3 — CID 86720089

IUPAC3-[(4-bromophenyl)methoxy]oxolan-2-one
SMILESO=C1OCCC1OCc1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c12-9-3-1-8(2-4-9)7-15-10-5-6-14-11(10)13/h1-4,10H,5-7H2
InChIKeyVBXLYASXDJPKKC-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.28
Rot. Bonds3

About 3-[(4-bromophenyl)methoxy]oxolan-2-one

3-[(4-bromophenyl)methoxy]oxolan-2-one (PubChem CID 86720089) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]oxolan-2-one
PubChem CID86720089
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name3-[(4-bromophenyl)methoxy]oxolan-2-one
SMILESO=C1OCCC1OCc1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c12-9-3-1-8(2-4-9)7-15-10-5-6-14-11(10)13/h1-4,10H,5-7H2
InChIKeyVBXLYASXDJPKKC-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]oxolan-2-one?
The IUPAC name of 3-[(4-bromophenyl)methoxy]oxolan-2-one (CID 86720089) is 3-[(4-bromophenyl)methoxy]oxolan-2-one.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]oxolan-2-one?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]oxolan-2-one is O=C1OCCC1OCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]oxolan-2-one?
The InChIKey is VBXLYASXDJPKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-9-3-1-8(2-4-9)7-15-10-5-6-14-11(10)13/h1-4,10H,5-7H2.
What are the key properties of 3-[(4-bromophenyl)methoxy]oxolan-2-one?
3-[(4-bromophenyl)methoxy]oxolan-2-one has a molecular weight of 271.11 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]oxolan-2-one is sourced from PubChem (CID 86720089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).