5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene

C9H8BrCl3O — CID 148761209

IUPAC5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene
SMILESClCCCOc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H8BrCl3O/c10-6-4-7(12)9(8(13)5-6)14-3-1-2-11/h4-5H,1-3H2
InChIKeyOGPDOBWESONBRR-UHFFFAOYSA-N
MW318.43 g/mol
LogP4.76
Rot. Bonds4

About 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene

5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene (PubChem CID 148761209) has the molecular formula C9H8BrCl3O and a molecular weight of 318.43 g/mol. Its IUPAC name is 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene.

Molecular Properties

Compound Name5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene
PubChem CID148761209
Molecular FormulaC9H8BrCl3O
Molecular Weight318.43 g/mol
Exact Mass315.88
IUPAC Name5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene
SMILESClCCCOc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H8BrCl3O/c10-6-4-7(12)9(8(13)5-6)14-3-1-2-11/h4-5H,1-3H2
InChIKeyOGPDOBWESONBRR-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 54.76
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'}

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Related Compounds

1,3,5-trichloro-2-(6-chlorohexoxy)benzene
CID 63500210
2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane
CID 172541608
2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine
CID 62599292
[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol
CID 86080644
5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride
CID 81106546
4-(4-bromo-2-chloro-6-methylphenoxy)butanoic acid
CID 43351509
1,4-dichloro-2,5-bis(3-chloropropoxy)benzene
CID 54022479
5-bromo-3-chloro-2-pentoxybenzenesulfonamide
CID 43164418
1,3-dichloro-2-(6-chlorohexoxy)-5-(methoxymethyl)benzene
CID 86080637
(4-bromo-2,6-dichlorophenyl) 2-chloroacetate
CID 87706469
5-bromo-3-chloro-2-propoxybenzonitrile;ethane
CID 166090943
3-(2,4,6-trichlorophenoxy)propan-1-amine
CID 10060902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene?
The IUPAC name of 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene (CID 148761209) is 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene.
What is the SMILES notation for 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene?
The canonical SMILES for 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene is ClCCCOc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene?
The InChIKey is OGPDOBWESONBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl3O/c10-6-4-7(12)9(8(13)5-6)14-3-1-2-11/h4-5H,1-3H2.
What are the key properties of 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene?
5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene has a molecular weight of 318.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene is sourced from PubChem (CID 148761209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).