2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane

C10H10BrClO2 — CID 138376214

IUPAC2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(Cl)c(Br)c2)OCCO1
InChIInChI=1S/C10H10BrClO2/c1-10(13-4-5-14-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyLYWGFGVTWLQMKT-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.32
Rot. Bonds1

About 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane

2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane (PubChem CID 138376214) has the molecular formula C10H10BrClO2 and a molecular weight of 277.54 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane
PubChem CID138376214
Molecular FormulaC10H10BrClO2
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(Cl)c(Br)c2)OCCO1
InChIInChI=1S/C10H10BrClO2/c1-10(13-4-5-14-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyLYWGFGVTWLQMKT-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane
CID 108419
1,3-Dioxolane, 2-(p-chlorophenyl)-2,4-dimethyl-
CID 43113
2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane
CID 108906
2-(5-Bromo-2-chlorophenyl)-1,3-dioxolane
CID 67069104
2-(4-Chlorophenyl)-2-methyl-1,3-dioxolane
CID 603033
4-(4-Chlorophenyl)-2,2-dimethyl-1,3-dioxolane
CID 21347874
2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane
CID 108420
2-(3-Bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane
CID 11129071
2-(4-Chlorophenyl)-2-(3-fluoropropyl)-1,3-dioxolane
CID 21318567
2-(Bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolane
CID 304326
[(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol
CID 14872532
4-(2,3-Dibromopropoxymethyl)-2-(p-chloro-phenyl)-1,3-dioxolane
CID 15470458

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane (CID 138376214) is 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane is CC1(c2ccc(Cl)c(Br)c2)OCCO1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane?
The InChIKey is LYWGFGVTWLQMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-10(13-4-5-14-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane?
2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane has a molecular weight of 277.54 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 138376214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).