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

C14H9BrClFO2 — CID 4511381

IUPAC5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C14H9BrClFO2/c15-11-2-4-14(10(5-11)7-18)19-8-9-1-3-12(17)6-13(9)16/h1-7H,8H2
InChIKeyQGQNZBLTCQZGKM-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.63
Rot. Bonds4

About 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde

5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde (PubChem CID 4511381) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde
PubChem CID4511381
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C14H9BrClFO2/c15-11-2-4-14(10(5-11)7-18)19-8-9-1-3-12(17)6-13(9)16/h1-7H,8H2
InChIKeyQGQNZBLTCQZGKM-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde (CID 4511381) is 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde is O=Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is QGQNZBLTCQZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c15-11-2-4-14(10(5-11)7-18)19-8-9-1-3-12(17)6-13(9)16/h1-7H,8H2.
What are the key properties of 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde?
5-bromo-2-[(2-chloro-4-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 5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 4511381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).