(2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol

C6H11BrO2 — CID 88929324

IUPAC(2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol
SMILESC=C(C)OC[C@@H](O)CBr
InChIInChI=1S/C6H11BrO2/c1-5(2)9-4-6(8)3-7/h6,8H,1,3-4H2,2H3/t6-/m0/s1
InChIKeySEYCFQXIGLCOKJ-LURJTMIESA-N
MW195.06 g/mol
LogP1.29
Rot. Bonds4

About (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol

(2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol (PubChem CID 88929324) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol
PubChem CID88929324
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name(2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol
SMILESC=C(C)OC[C@@H](O)CBr
InChIInChI=1S/C6H11BrO2/c1-5(2)9-4-6(8)3-7/h6,8H,1,3-4H2,2H3/t6-/m0/s1
InChIKeySEYCFQXIGLCOKJ-LURJTMIESA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol (CID 88929324) is (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol is C=C(C)OC[C@@H](O)CBr.
What is the InChIKey of (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol?
The InChIKey is SEYCFQXIGLCOKJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H11BrO2/c1-5(2)9-4-6(8)3-7/h6,8H,1,3-4H2,2H3/t6-/m0/s1.
What are the key properties of (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol?
(2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol has a molecular weight of 195.06 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-bromo-3-prop-1-en-2-yloxypropan-2-ol is sourced from PubChem (CID 88929324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).