1-bromo-2,5-dichloro-4-propan-2-yloxybenzene

C9H9BrCl2O — CID 97057561

IUPAC1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C9H9BrCl2O/c1-5(2)13-9-4-7(11)6(10)3-8(9)12/h3-5H,1-2H3
InChIKeyCOZAFCAWWXXPPN-UHFFFAOYSA-N
MW283.98 g/mol
LogP4.54
Rot. Bonds2

About 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene

1-bromo-2,5-dichloro-4-propan-2-yloxybenzene (PubChem CID 97057561) has the molecular formula C9H9BrCl2O and a molecular weight of 283.98 g/mol. Its IUPAC name is 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
PubChem CID97057561
Molecular FormulaC9H9BrCl2O
Molecular Weight283.98 g/mol
Exact Mass281.92
IUPAC Name1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C9H9BrCl2O/c1-5(2)13-9-4-7(11)6(10)3-8(9)12/h3-5H,1-2H3
InChIKeyCOZAFCAWWXXPPN-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.98
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene 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

3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol
CID 106704198
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide
CID 107661601
2-(4-bromo-2,5-dichlorophenoxy)-4-methylpentanoic acid
CID 114282482
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide
CID 107661616
1-(4-bromo-2,5-dichlorophenoxy)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107656076
3-(4-bromo-2,5-dichlorophenoxy)-2-methylpropan-1-amine
CID 107659698
2-(4-bromo-2,5-dichlorophenoxy)-N-methylpentan-1-amine
CID 107661046
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene?
The IUPAC name of 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene (CID 97057561) is 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene?
The canonical SMILES for 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene is CC(C)Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene?
The InChIKey is COZAFCAWWXXPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2O/c1-5(2)13-9-4-7(11)6(10)3-8(9)12/h3-5H,1-2H3.
What are the key properties of 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene?
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene has a molecular weight of 283.98 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,5-dichloro-4-propan-2-yloxybenzene is sourced from PubChem (CID 97057561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).