4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene

C9H6BrCl3O — CID 79167187

IUPAC4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
SMILESClC=C(Cl)COc1cc(Br)ccc1Cl
InChIInChI=1S/C9H6BrCl3O/c10-6-1-2-8(13)9(3-6)14-5-7(12)4-11/h1-4H,5H2
InChIKeyPHOCRCIITWAYMV-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.80
Rot. Bonds3

About 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene

4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene (PubChem CID 79167187) has the molecular formula C9H6BrCl3O and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
PubChem CID79167187
Molecular FormulaC9H6BrCl3O
Molecular Weight316.41 g/mol
Exact Mass313.87
IUPAC Name4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
SMILESClC=C(Cl)COc1cc(Br)ccc1Cl
InChIInChI=1S/C9H6BrCl3O/c10-6-1-2-8(13)9(3-6)14-5-7(12)4-11/h1-4H,5H2
InChIKeyPHOCRCIITWAYMV-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-chloro-2-[(Z)-3-chloro-2-methylprop-2-enoxy]benzene
CID 106438538
5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid
CID 107729528
4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
CID 66043796
2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene
CID 79168336
1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one
CID 107508163
2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide
CID 60773290
4-(5-bromo-2-chlorophenoxy)but-2-en-1-amine
CID 77110626
4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
CID 79173911
[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79173766
(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate
CID 19179126
4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
CID 82918187
1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
CID 79173704

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene?
The IUPAC name of 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene (CID 79167187) is 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene?
The canonical SMILES for 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene is ClC=C(Cl)COc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene?
The InChIKey is PHOCRCIITWAYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl3O/c10-6-1-2-8(13)9(3-6)14-5-7(12)4-11/h1-4H,5H2.
What are the key properties of 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene?
4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene has a molecular weight of 316.41 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene is sourced from PubChem (CID 79167187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).