2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane

C10H10BrClO2 — CID 82124190

IUPAC2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane
SMILESClCC1(c2ccc(Br)cc2)OCCO1
InChIInChI=1S/C10H10BrClO2/c11-9-3-1-8(2-4-9)10(7-12)13-5-6-14-10/h1-4H,5-7H2
InChIKeyYJFVQHBORGIUPJ-UHFFFAOYSA-N
MW277.54 g/mol
LogP2.89
Rot. Bonds2

About 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane

2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane (PubChem CID 82124190) has the molecular formula C10H10BrClO2 and a molecular weight of 277.54 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane
PubChem CID82124190
Molecular FormulaC10H10BrClO2
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane
SMILESClCC1(c2ccc(Br)cc2)OCCO1
InChIInChI=1S/C10H10BrClO2/c11-9-3-1-8(2-4-9)10(7-12)13-5-6-14-10/h1-4H,5-7H2
InChIKeyYJFVQHBORGIUPJ-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane?
The IUPAC name of 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane (CID 82124190) is 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane is ClCC1(c2ccc(Br)cc2)OCCO1.
What is the InChIKey of 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane?
The InChIKey is YJFVQHBORGIUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c11-9-3-1-8(2-4-9)10(7-12)13-5-6-14-10/h1-4H,5-7H2.
What are the key properties of 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane?
2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane has a molecular weight of 277.54 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(chloromethyl)-1,3-dioxolane is sourced from PubChem (CID 82124190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).