oxolan-3-yl 2-(3-bromophenyl)acetate

C12H13BrO3 — CID 56803398

IUPACoxolan-3-yl 2-(3-bromophenyl)acetate
SMILESO=C(Cc1cccc(Br)c1)OC1CCOC1
InChIInChI=1S/C12H13BrO3/c13-10-3-1-2-9(6-10)7-12(14)16-11-4-5-15-8-11/h1-3,6,11H,4-5,7-8H2
InChIKeyREDNSAKPGDRDAC-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.32
Rot. Bonds3

About oxolan-3-yl 2-(3-bromophenyl)acetate

oxolan-3-yl 2-(3-bromophenyl)acetate (PubChem CID 56803398) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is oxolan-3-yl 2-(3-bromophenyl)acetate.

Molecular Properties

Compound Nameoxolan-3-yl 2-(3-bromophenyl)acetate
PubChem CID56803398
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Nameoxolan-3-yl 2-(3-bromophenyl)acetate
SMILESO=C(Cc1cccc(Br)c1)OC1CCOC1
InChIInChI=1S/C12H13BrO3/c13-10-3-1-2-9(6-10)7-12(14)16-11-4-5-15-8-11/h1-3,6,11H,4-5,7-8H2
InChIKeyREDNSAKPGDRDAC-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 2-(3-bromophenyl)acetate?
The IUPAC name of oxolan-3-yl 2-(3-bromophenyl)acetate (CID 56803398) is oxolan-3-yl 2-(3-bromophenyl)acetate.
What is the SMILES notation for oxolan-3-yl 2-(3-bromophenyl)acetate?
The canonical SMILES for oxolan-3-yl 2-(3-bromophenyl)acetate is O=C(Cc1cccc(Br)c1)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 2-(3-bromophenyl)acetate?
The InChIKey is REDNSAKPGDRDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c13-10-3-1-2-9(6-10)7-12(14)16-11-4-5-15-8-11/h1-3,6,11H,4-5,7-8H2.
What are the key properties of oxolan-3-yl 2-(3-bromophenyl)acetate?
oxolan-3-yl 2-(3-bromophenyl)acetate has a molecular weight of 285.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2-(3-bromophenyl)acetate is sourced from PubChem (CID 56803398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).