bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane

C14H22BrClO2 — CID 143933595

IUPACbromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane
SMILESCBr.CC1(c2ccc(Cl)cc2)OCCO1.CCC
InChIInChI=1S/C10H11ClO2.C3H8.CH3Br/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8;1-3-2;1-2/h2-5H,6-7H2,1H3;3H2,1-2H3;1H3
InChIKeyKCHQTEPITHACLU-UHFFFAOYSA-N
MW337.69 g/mol
LogP4.99
Rot. Bonds1

About bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane

bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane (PubChem CID 143933595) has the molecular formula C14H22BrClO2 and a molecular weight of 337.69 g/mol. Its IUPAC name is bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane.

Molecular Properties

Compound Namebromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane
PubChem CID143933595
Molecular FormulaC14H22BrClO2
Molecular Weight337.69 g/mol
Exact Mass336.05
IUPAC Namebromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane
SMILESCBr.CC1(c2ccc(Cl)cc2)OCCO1.CCC
InChIInChI=1S/C10H11ClO2.C3H8.CH3Br/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8;1-3-2;1-2/h2-5H,6-7H2,1H3;3H2,1-2H3;1H3
InChIKeyKCHQTEPITHACLU-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 54.99
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 bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane?
The IUPAC name of bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane (CID 143933595) is bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane.
What is the SMILES notation for bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane?
The canonical SMILES for bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane is CBr.CC1(c2ccc(Cl)cc2)OCCO1.CCC.
What is the InChIKey of bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane?
The InChIKey is KCHQTEPITHACLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2.C3H8.CH3Br/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8;1-3-2;1-2/h2-5H,6-7H2,1H3;3H2,1-2H3;1H3.
What are the key properties of bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane?
bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane has a molecular weight of 337.69 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;2-(4-chlorophenyl)-2-methyl-1,3-dioxolane;propane is sourced from PubChem (CID 143933595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).