2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene

C17H20BrClO3 — CID 143933598

IUPAC2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene
SMILESBrCC1OCCO1.CCl.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H7BrO2.CH3Cl/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3-4-6-1-2-7-4;1-2/h1-10H;4H,1-3H2;1H3
InChIKeyZWIAWPVUSRMQQZ-UHFFFAOYSA-N
MW387.70 g/mol
LogP5.09
Rot. Bonds3

About 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene

2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene (PubChem CID 143933598) has the molecular formula C17H20BrClO3 and a molecular weight of 387.70 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene
PubChem CID143933598
Molecular FormulaC17H20BrClO3
Molecular Weight387.70 g/mol
Exact Mass386.03
IUPAC Name2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene
SMILESBrCC1OCCO1.CCl.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H7BrO2.CH3Cl/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3-4-6-1-2-7-4;1-2/h1-10H;4H,1-3H2;1H3
InChIKeyZWIAWPVUSRMQQZ-UHFFFAOYSA-N
XLogP5.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.70
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene 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 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene?
The IUPAC name of 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene (CID 143933598) is 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene?
The canonical SMILES for 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene is BrCC1OCCO1.CCl.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene?
The InChIKey is ZWIAWPVUSRMQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C4H7BrO2.CH3Cl/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3-4-6-1-2-7-4;1-2/h1-10H;4H,1-3H2;1H3.
What are the key properties of 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene?
2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene has a molecular weight of 387.70 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene is sourced from PubChem (CID 143933598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).