[(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol

C11H12BrClO3 — CID 14872532

IUPAC[(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol
SMILESOC[C@@H]1CO[C@](CBr)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H12BrClO3/c12-7-11(15-6-10(5-14)16-11)8-1-3-9(13)4-2-8/h1-4,10,14H,5-7H2/t10-,11+/m1/s1
InChIKeyHCVKXOSKQVWRBC-MNOVXSKESA-N
MW307.57 g/mol
LogP2.30
Rot. Bonds3

About [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol

[(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 14872532) has the molecular formula C11H12BrClO3 and a molecular weight of 307.57 g/mol. Its IUPAC name is [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol
PubChem CID14872532
Molecular FormulaC11H12BrClO3
Molecular Weight307.57 g/mol
Exact Mass305.97
IUPAC Name[(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol
SMILESOC[C@@H]1CO[C@](CBr)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H12BrClO3/c12-7-11(15-6-10(5-14)16-11)8-1-3-9(13)4-2-8/h1-4,10,14H,5-7H2/t10-,11+/m1/s1
InChIKeyHCVKXOSKQVWRBC-MNOVXSKESA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.57
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol (CID 14872532) is [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol is OC[C@@H]1CO[C@](CBr)(c2ccc(Cl)cc2)O1.
What is the InChIKey of [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is HCVKXOSKQVWRBC-MNOVXSKESA-N. The full InChI is InChI=1S/C11H12BrClO3/c12-7-11(15-6-10(5-14)16-11)8-1-3-9(13)4-2-8/h1-4,10,14H,5-7H2/t10-,11+/m1/s1.
What are the key properties of [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol?
[(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 307.57 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 14872532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).