2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane

C16H13BrCl2O2 — CID 57226131

IUPAC2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane
SMILESCC1COC(c2ccc(Br)cc2)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C16H13BrCl2O2/c1-10-9-20-16(21-10,11-2-4-12(17)5-3-11)14-7-6-13(18)8-15(14)19/h2-8,10H,9H2,1H3
InChIKeyYEHMZTWMPGZKPP-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.39
Rot. Bonds2

About 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane

2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane (PubChem CID 57226131) has the molecular formula C16H13BrCl2O2 and a molecular weight of 388.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane
PubChem CID57226131
Molecular FormulaC16H13BrCl2O2
Molecular Weight388.09 g/mol
Exact Mass385.95
IUPAC Name2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane
SMILESCC1COC(c2ccc(Br)cc2)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C16H13BrCl2O2/c1-10-9-20-16(21-10,11-2-4-12(17)5-3-11)14-7-6-13(18)8-15(14)19/h2-8,10H,9H2,1H3
InChIKeyYEHMZTWMPGZKPP-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine
CID 142628137
2-(bromomethyl)-2-(4-chlorophenyl)-4-methyl-1,3-dioxolane
CID 154098412
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane
CID 164706205
1-bromo-4-chlorobenzene
CID 7806
7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
CID 57276089
(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane
CID 173217584
(4S)-2,4-dimethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane
CID 59908668
(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-carboxylic acid
CID 11279723
2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane
CID 86098371
2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
CID 143933612
2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole
CID 70590383

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane?
The IUPAC name of 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane (CID 57226131) is 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane is CC1COC(c2ccc(Br)cc2)(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane?
The InChIKey is YEHMZTWMPGZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2O2/c1-10-9-20-16(21-10,11-2-4-12(17)5-3-11)14-7-6-13(18)8-15(14)19/h2-8,10H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane?
2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane has a molecular weight of 388.09 g/mol, XLogP of 5.39, 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-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane is sourced from PubChem (CID 57226131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).