5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one

C17H15BrO3 — CID 25180882

IUPAC5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(OCc3ccccc3Br)cc2)O1
InChIInChI=1S/C17H15BrO3/c18-15-4-2-1-3-13(15)11-20-14-7-5-12(6-8-14)16-9-10-17(19)21-16/h1-8,16H,9-11H2
InChIKeyCSQWYXJTWLKESY-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.41
Rot. Bonds4

About 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one

5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one (PubChem CID 25180882) has the molecular formula C17H15BrO3 and a molecular weight of 347.21 g/mol. Its IUPAC name is 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one.

Molecular Properties

Compound Name5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one
PubChem CID25180882
Molecular FormulaC17H15BrO3
Molecular Weight347.21 g/mol
Exact Mass346.02
IUPAC Name5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(OCc3ccccc3Br)cc2)O1
InChIInChI=1S/C17H15BrO3/c18-15-4-2-1-3-13(15)11-20-14-7-5-12(6-8-14)16-9-10-17(19)21-16/h1-8,16H,9-11H2
InChIKeyCSQWYXJTWLKESY-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one?
The IUPAC name of 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one (CID 25180882) is 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one.
What is the SMILES notation for 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one?
The canonical SMILES for 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one is O=C1CCC(c2ccc(OCc3ccccc3Br)cc2)O1.
What is the InChIKey of 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one?
The InChIKey is CSQWYXJTWLKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO3/c18-15-4-2-1-3-13(15)11-20-14-7-5-12(6-8-14)16-9-10-17(19)21-16/h1-8,16H,9-11H2.
What are the key properties of 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one?
5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one has a molecular weight of 347.21 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one is sourced from PubChem (CID 25180882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).