2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde

C14H9BrClFO2 — CID 142835419

IUPAC2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C14H9BrClFO2/c15-10-5-12(16)11(13(17)6-10)8-19-14-4-2-1-3-9(14)7-18/h1-7H,8H2
InChIKeyHYQYDYMHCRPDOC-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.63
Rot. Bonds4

About 2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde

2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde (PubChem CID 142835419) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is 2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde
PubChem CID142835419
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C14H9BrClFO2/c15-10-5-12(16)11(13(17)6-10)8-19-14-4-2-1-3-9(14)7-18/h1-7H,8H2
InChIKeyHYQYDYMHCRPDOC-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-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 103978417
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
CID 17202089
2-[(5-bromo-2-methoxyphenyl)methoxy]benzaldehyde
CID 60710592
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609611
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
CID 11289413
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697201

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde (CID 142835419) is 2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde is O=Cc1ccccc1OCc1c(F)cc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is HYQYDYMHCRPDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c15-10-5-12(16)11(13(17)6-10)8-19-14-4-2-1-3-9(14)7-18/h1-7H,8H2.
What are the key properties of 2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
2-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde 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-[(4-bromo-2-chloro-6-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 142835419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).