2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde

C14H9BrClFO2 — CID 43324795

IUPAC2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C14H9BrClFO2/c15-11-1-3-13(17)10(5-11)8-19-14-4-2-12(16)6-9(14)7-18/h1-7H,8H2
InChIKeyHLHMTGLKEDUZGH-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.63
Rot. Bonds4

About 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde

2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde (PubChem CID 43324795) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
PubChem CID43324795
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C14H9BrClFO2/c15-11-1-3-13(17)10(5-11)8-19-14-4-2-12(16)6-9(14)7-18/h1-7H,8H2
InChIKeyHLHMTGLKEDUZGH-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
CID 114381646
5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]benzaldehyde
CID 114346022
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 43095452
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde (CID 43324795) is 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde is O=Cc1cc(Cl)ccc1OCc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde?
The InChIKey is HLHMTGLKEDUZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c15-11-1-3-13(17)10(5-11)8-19-14-4-2-12(16)6-9(14)7-18/h1-7H,8H2.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde?
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde has a molecular weight of 343.58 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde is sourced from PubChem (CID 43324795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).