1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene

C13H8BrCl2FO — CID 170716801

IUPAC1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2cc(Cl)cc(Br)c2)c(Cl)c1
InChIInChI=1S/C13H8BrCl2FO/c14-9-3-10(15)5-12(4-9)18-7-8-1-2-11(17)6-13(8)16/h1-6H,7H2
InChIKeyKOOHLSHPASFYDC-UHFFFAOYSA-N
MW350.01 g/mol
LogP5.47
Rot. Bonds3

About 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene

1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene (PubChem CID 170716801) has the molecular formula C13H8BrCl2FO and a molecular weight of 350.01 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene
PubChem CID170716801
Molecular FormulaC13H8BrCl2FO
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2cc(Cl)cc(Br)c2)c(Cl)c1
InChIInChI=1S/C13H8BrCl2FO/c14-9-3-10(15)5-12(4-9)18-7-8-1-2-11(17)6-13(8)16/h1-6H,7H2
InChIKeyKOOHLSHPASFYDC-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.01
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Bromo-3-[(4-fluorophenyl)methoxy]benzene
CID 2758970
4-Bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene
CID 9996449
3-(3-Fluorobenzyloxy)-bromobenzene
CID 2758969
1-(Benzyloxy)-3-bromo-5-fluorobenzene
CID 11254516
2-Bromo-3-chloro-1-(3-chloro-5-fluorophenoxy)-4-(trifluoromethyl)benzene
CID 117942846
1-Benzyloxy-4-bromo-2-chlorobenzene
CID 10913524
4-(Benzyloxy)-2-bromo-1-fluorobenzene
CID 20785494
1,3-Dibromo-5-[(2,6-dichlorophenyl)methoxy]benzene
CID 137639128
1-(3-Chlorophenoxymethyl)-4-fluorobenzene
CID 60627868
1-(Benzyloxy)-2-bromo-4-chlorobenzene
CID 11551125
1-Chloro-3-fluoro-2-(phenoxymethyl)benzene
CID 957498
4-(Bromomethyl)-2-(3-chlorophenoxy)-1-fluorobenzene
CID 20252972

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene (CID 170716801) is 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene is Fc1ccc(COc2cc(Cl)cc(Br)c2)c(Cl)c1.
What is the InChIKey of 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene?
The InChIKey is KOOHLSHPASFYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FO/c14-9-3-10(15)5-12(4-9)18-7-8-1-2-11(17)6-13(8)16/h1-6H,7H2.
What are the key properties of 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene?
1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene has a molecular weight of 350.01 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-[(2-chloro-4-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 170716801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).