4-(4-bromobutoxy)-1,2-dichlorobenzene

C10H11BrCl2O — CID 18768634

IUPAC4-(4-bromobutoxy)-1,2-dichlorobenzene
SMILESClc1ccc(OCCCCBr)cc1Cl
InChIInChI=1S/C10H11BrCl2O/c11-5-1-2-6-14-8-3-4-9(12)10(13)7-8/h3-4,7H,1-2,5-6H2
InChIKeyKAJYQHYWCDUIFV-UHFFFAOYSA-N
MW298.01 g/mol
LogP4.55
Rot. Bonds5

About 4-(4-bromobutoxy)-1,2-dichlorobenzene

4-(4-bromobutoxy)-1,2-dichlorobenzene (PubChem CID 18768634) has the molecular formula C10H11BrCl2O and a molecular weight of 298.01 g/mol. Its IUPAC name is 4-(4-bromobutoxy)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(4-bromobutoxy)-1,2-dichlorobenzene
PubChem CID18768634
Molecular FormulaC10H11BrCl2O
Molecular Weight298.01 g/mol
Exact Mass295.94
IUPAC Name4-(4-bromobutoxy)-1,2-dichlorobenzene
SMILESClc1ccc(OCCCCBr)cc1Cl
InChIInChI=1S/C10H11BrCl2O/c11-5-1-2-6-14-8-3-4-9(12)10(13)7-8/h3-4,7H,1-2,5-6H2
InChIKeyKAJYQHYWCDUIFV-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.01
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-bromobutoxy)-1,2-dichlorobenzene 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-(bromomethoxy)-1,2-dichlorobenzene
CID 22961270
3-(3,4-dichlorophenoxy)propane-1-thiol
CID 79019672
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
1,3-bis(10-bromodecoxy)benzene
CID 11800753
1,2-dibromo-4-(6-bromohexoxy)benzene
CID 141347464
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
2-(9-bromononoxy)naphthalene
CID 105343234
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
2-[4-(3,4-dichlorophenoxy)butylsulfanyl]pyrimidine
CID 16614050

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobutoxy)-1,2-dichlorobenzene?
The IUPAC name of 4-(4-bromobutoxy)-1,2-dichlorobenzene (CID 18768634) is 4-(4-bromobutoxy)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(4-bromobutoxy)-1,2-dichlorobenzene?
The canonical SMILES for 4-(4-bromobutoxy)-1,2-dichlorobenzene is Clc1ccc(OCCCCBr)cc1Cl.
What is the InChIKey of 4-(4-bromobutoxy)-1,2-dichlorobenzene?
The InChIKey is KAJYQHYWCDUIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2O/c11-5-1-2-6-14-8-3-4-9(12)10(13)7-8/h3-4,7H,1-2,5-6H2.
What are the key properties of 4-(4-bromobutoxy)-1,2-dichlorobenzene?
4-(4-bromobutoxy)-1,2-dichlorobenzene has a molecular weight of 298.01 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobutoxy)-1,2-dichlorobenzene is sourced from PubChem (CID 18768634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).