(3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one

C11H11BrO2 — CID 125494033

IUPAC(3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one
SMILESC[C@@H]1C[C@H](c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C11H11BrO2/c1-7-6-10(14-11(7)13)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3/t7-,10-/m1/s1
InChIKeyZHGJGEUXGIDFNX-GMSGAONNSA-N
MW255.11 g/mol
LogP3.07
Rot. Bonds1

About (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one

(3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one (PubChem CID 125494033) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one
PubChem CID125494033
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name(3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one
SMILESC[C@@H]1C[C@H](c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C11H11BrO2/c1-7-6-10(14-11(7)13)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3/t7-,10-/m1/s1
InChIKeyZHGJGEUXGIDFNX-GMSGAONNSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one 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

3-amino-5-(4-bromophenyl)oxolan-2-one
CID 82159789
4-(4-bromophenyl)-1,3-dioxolan-2-one
CID 66961495
(5S)-5-(4-bromophenyl)-3,3-dimethyloxolan-2-one
CID 155935062
N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide
CID 102525271
6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one
CID 83903277
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
3-(methylamino)-5-(4-methylphenyl)oxolan-2-one
CID 23008775
S-methyl (2S,4R)-2-(4-bromophenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carbothioate
CID 122395201
(3R,5S)-3-(4-bromoanilino)-5-methyloxolan-2-one
CID 93233557
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
(3S,5R)-3-butyl-3-methyl-5-phenyloxolan-2-one;(3S,5R)-3-methyl-5-phenyloxolan-2-one;oxolane
CID 167534586

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one?
The IUPAC name of (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one (CID 125494033) is (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one is C[C@@H]1C[C@H](c2ccc(Br)cc2)OC1=O.
What is the InChIKey of (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one?
The InChIKey is ZHGJGEUXGIDFNX-GMSGAONNSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-7-6-10(14-11(7)13)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3/t7-,10-/m1/s1.
What are the key properties of (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one?
(3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one has a molecular weight of 255.11 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one is sourced from PubChem (CID 125494033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).