5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene

C16H15BrCl2O2 — CID 11728852

IUPAC5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene
SMILESCOc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(C)C
InChIInChI=1S/C16H15BrCl2O2/c1-9(2)12-8-11(4-5-15(12)20-3)21-16-13(18)6-10(17)7-14(16)19/h4-9H,1-3H3
InChIKeyRLSMDNCLZLSURV-UHFFFAOYSA-N
MW390.10 g/mol
LogP6.68
Rot. Bonds4

About 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene

5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene (PubChem CID 11728852) has the molecular formula C16H15BrCl2O2 and a molecular weight of 390.10 g/mol. Its IUPAC name is 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene
PubChem CID11728852
Molecular FormulaC16H15BrCl2O2
Molecular Weight390.10 g/mol
Exact Mass387.96
IUPAC Name5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene
SMILESCOc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(C)C
InChIInChI=1S/C16H15BrCl2O2/c1-9(2)12-8-11(4-5-15(12)20-3)21-16-13(18)6-10(17)7-14(16)19/h4-9H,1-3H3
InChIKeyRLSMDNCLZLSURV-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.10
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene?
The IUPAC name of 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene (CID 11728852) is 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene?
The canonical SMILES for 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene is COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(C)C.
What is the InChIKey of 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene?
The InChIKey is RLSMDNCLZLSURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O2/c1-9(2)12-8-11(4-5-15(12)20-3)21-16-13(18)6-10(17)7-14(16)19/h4-9H,1-3H3.
What are the key properties of 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene?
5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene has a molecular weight of 390.10 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 11728852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).