4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene

C15H14BrClO2 — CID 22503230

IUPAC4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
SMILESClc1cc(Br)ccc1OCCOCc1ccccc1
InChIInChI=1S/C15H14BrClO2/c16-13-6-7-15(14(17)10-13)19-9-8-18-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyUGFXPSWEXZDNRJ-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.70
Rot. Bonds6

About 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene

4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene (PubChem CID 22503230) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
PubChem CID22503230
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
SMILESClc1cc(Br)ccc1OCCOCc1ccccc1
InChIInChI=1S/C15H14BrClO2/c16-13-6-7-15(14(17)10-13)19-9-8-18-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyUGFXPSWEXZDNRJ-UHFFFAOYSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[3-(4-bromo-2-chlorophenoxy)propyl]azanium
CID 2183005
4-bromo-1-nitro-2-(2-phenylmethoxyethoxy)benzene
CID 122504329
2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl-propan-2-ylazanium
CID 2297262
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
N-benzyl-3-(4-bromo-2-chlorophenoxy)propan-1-amine;oxalic acid
CID 2935175
4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
CID 65490138
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
(4-bromo-2-chlorophenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012046
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene (CID 22503230) is 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene is Clc1cc(Br)ccc1OCCOCc1ccccc1.
What is the InChIKey of 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene?
The InChIKey is UGFXPSWEXZDNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c16-13-6-7-15(14(17)10-13)19-9-8-18-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene?
4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene has a molecular weight of 341.63 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene is sourced from PubChem (CID 22503230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).