[(2R)-oxolan-2-yl]methyl 2-bromobenzoate

C12H13BrO3 — CID 2375210

IUPAC[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
SMILESO=C(OC[C@H]1CCCO1)c1ccccc1Br
InChIInChI=1S/C12H13BrO3/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2/t9-/m1/s1
InChIKeyDVNYFHZGQUVXLP-SECBINFHSA-N
MW285.14 g/mol
LogP2.78
Rot. Bonds3

About [(2R)-oxolan-2-yl]methyl 2-bromobenzoate

[(2R)-oxolan-2-yl]methyl 2-bromobenzoate (PubChem CID 2375210) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 2-bromobenzoate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
PubChem CID2375210
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Name[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
SMILESO=C(OC[C@H]1CCCO1)c1ccccc1Br
InChIInChI=1S/C12H13BrO3/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2/t9-/m1/s1
InChIKeyDVNYFHZGQUVXLP-SECBINFHSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-oxolan-2-yl]methyl 2-bromobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-oxiran-2-yl]methyl 2-bromobenzoate
CID 39733858
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
2-O-(oxolan-2-ylmethyl) 1-O-tetradecyl benzene-1,2-dicarboxylate
CID 6421095
1-O-nonyl 2-O-(oxolan-2-ylmethyl) benzene-1,2-dicarboxylate
CID 6421096
oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate
CID 104548522
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
oxolan-2-ylmethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 79884542
[(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate
CID 41068647
oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 51075280
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 2-bromobenzoate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 2-bromobenzoate (CID 2375210) is [(2R)-oxolan-2-yl]methyl 2-bromobenzoate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 2-bromobenzoate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 2-bromobenzoate is O=C(OC[C@H]1CCCO1)c1ccccc1Br.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 2-bromobenzoate?
The InChIKey is DVNYFHZGQUVXLP-SECBINFHSA-N. The full InChI is InChI=1S/C12H13BrO3/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2/t9-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 2-bromobenzoate?
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate has a molecular weight of 285.14 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 2-bromobenzoate is sourced from PubChem (CID 2375210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).