1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene

C15H14BrClO2 — CID 139615693

IUPAC1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene
SMILESClc1cccc(Oc2ccc(OCCCBr)cc2)c1
InChIInChI=1S/C15H14BrClO2/c16-9-2-10-18-13-5-7-14(8-6-13)19-15-4-1-3-12(17)11-15/h1,3-8,11H,2,9-10H2
InChIKeyFPZSHXKAFOYPRX-UHFFFAOYSA-N
MW341.63 g/mol
LogP5.30
Rot. Bonds6

About 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene

1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene (PubChem CID 139615693) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene.

Molecular Properties

Compound Name1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene
PubChem CID139615693
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene
SMILESClc1cccc(Oc2ccc(OCCCBr)cc2)c1
InChIInChI=1S/C15H14BrClO2/c16-9-2-10-18-13-5-7-14(8-6-13)19-15-4-1-3-12(17)11-15/h1,3-8,11H,2,9-10H2
InChIKeyFPZSHXKAFOYPRX-UHFFFAOYSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.63
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromopropoxy)-4-(3-chlorophenoxy)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

2-[4-(3-chlorophenoxy)phenoxy]ethanamine
CID 19881384
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-(bromomethoxy)-3-chlorobenzene
CID 22961199
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene
CID 11438746
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
1,3-bis(10-bromodecoxy)benzene
CID 11800753
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
4-[4-(3-chlorophenoxy)phenyl]but-3-yn-1-ol
CID 54436236

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene?
The IUPAC name of 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene (CID 139615693) is 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene.
What is the SMILES notation for 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene?
The canonical SMILES for 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene is Clc1cccc(Oc2ccc(OCCCBr)cc2)c1.
What is the InChIKey of 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene?
The InChIKey is FPZSHXKAFOYPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c16-9-2-10-18-13-5-7-14(8-6-13)19-15-4-1-3-12(17)11-15/h1,3-8,11H,2,9-10H2.
What are the key properties of 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene?
1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene has a molecular weight of 341.63 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene is sourced from PubChem (CID 139615693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).