1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene

C13H9BrClFO — CID 79701274

IUPAC1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C13H9BrClFO/c14-10-4-9(5-12(16)6-10)8-17-13-3-1-2-11(15)7-13/h1-7H,8H2
InChIKeyLUOKQDONQROBIR-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.82
Rot. Bonds3

About 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene

1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene (PubChem CID 79701274) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
PubChem CID79701274
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C13H9BrClFO/c14-10-4-9(5-12(16)6-10)8-17-13-3-1-2-11(15)7-13/h1-7H,8H2
InChIKeyLUOKQDONQROBIR-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one
CID 105118221
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
CID 79701275
N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 79697849
2-[(3-bromo-5-fluorophenyl)methoxy]-4-chloroaniline
CID 79703808
1-bromo-3-chloro-5-(phenoxymethyl)benzene
CID 141438053
4-[(3-bromo-5-fluorophenyl)methoxy]-N-methylaniline
CID 79708992
[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
CID 114318396
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene
CID 79701276
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene?
The IUPAC name of 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene (CID 79701274) is 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene is Fc1cc(Br)cc(COc2cccc(Cl)c2)c1.
What is the InChIKey of 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene?
The InChIKey is LUOKQDONQROBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-10-4-9(5-12(16)6-10)8-17-13-3-1-2-11(15)7-13/h1-7H,8H2.
What are the key properties of 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene?
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene has a molecular weight of 315.57 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene is sourced from PubChem (CID 79701274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).