1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene

C14H10Cl3FO — CID 103047074

IUPAC1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
SMILESFc1ccc(Cl)cc1COc1c(Cl)cccc1CCl
InChIInChI=1S/C14H10Cl3FO/c15-7-9-2-1-3-12(17)14(9)19-8-10-6-11(16)4-5-13(10)18/h1-6H,7-8H2
InChIKeyREIOJMNBKOVBOL-UHFFFAOYSA-N
MW319.59 g/mol
LogP5.45
Rot. Bonds4

About 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene

1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene (PubChem CID 103047074) has the molecular formula C14H10Cl3FO and a molecular weight of 319.59 g/mol. Its IUPAC name is 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
PubChem CID103047074
Molecular FormulaC14H10Cl3FO
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
SMILESFc1ccc(Cl)cc1COc1c(Cl)cccc1CCl
InChIInChI=1S/C14H10Cl3FO/c15-7-9-2-1-3-12(17)14(9)19-8-10-6-11(16)4-5-13(10)18/h1-6H,7-8H2
InChIKeyREIOJMNBKOVBOL-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.59
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982
1-chloro-3-(chloromethyl)-2-[(5-chloro-2-nitrophenyl)methoxy]benzene
CID 115956577
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745268
[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-dimethylbenzene
CID 103047032
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
2-[(5-bromo-2-fluorophenyl)methoxy]-1-(chloromethyl)-3-ethoxybenzene
CID 43366805
1-chloro-3-(chloromethyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 112613555
1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
CID 107882644
[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112612937

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene?
The IUPAC name of 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene (CID 103047074) is 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene.
What is the SMILES notation for 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene?
The canonical SMILES for 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene is Fc1ccc(Cl)cc1COc1c(Cl)cccc1CCl.
What is the InChIKey of 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene?
The InChIKey is REIOJMNBKOVBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3FO/c15-7-9-2-1-3-12(17)14(9)19-8-10-6-11(16)4-5-13(10)18/h1-6H,7-8H2.
What are the key properties of 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene?
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene has a molecular weight of 319.59 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene is sourced from PubChem (CID 103047074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).