2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene

C11H12BrClO — CID 130642496

IUPAC2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene
SMILESC=C(Br)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C11H12BrClO/c1-7-4-10(13)5-8(2)11(7)14-6-9(3)12/h4-5H,3,6H2,1-2H3
InChIKeyDUYDFYWAYMBXMJ-UHFFFAOYSA-N
MW275.57 g/mol
LogP4.24
Rot. Bonds3

About 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene

2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene (PubChem CID 130642496) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene
PubChem CID130642496
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene
SMILESC=C(Br)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C11H12BrClO/c1-7-4-10(13)5-8(2)11(7)14-6-9(3)12/h4-5H,3,6H2,1-2H3
InChIKeyDUYDFYWAYMBXMJ-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 82913558
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
N-[[4-(2-bromoprop-2-enoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 60879502
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176
2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide
CID 24711245
N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112620477
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
5-chloro-1-methyl-2-prop-2-enoxy-3-prop-1-en-2-ylbenzene
CID 134877794
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
4-[2-(4-chloro-2,6-dimethylphenoxy)acetyl]benzonitrile
CID 62030810
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene?
The IUPAC name of 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene (CID 130642496) is 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene?
The canonical SMILES for 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene is C=C(Br)COc1c(C)cc(Cl)cc1C.
What is the InChIKey of 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene?
The InChIKey is DUYDFYWAYMBXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c1-7-4-10(13)5-8(2)11(7)14-6-9(3)12/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene?
2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene has a molecular weight of 275.57 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene is sourced from PubChem (CID 130642496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).