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

C14H9BrClFO2 — CID 759800

IUPAC5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H9BrClFO2/c15-10-4-5-14(9(6-10)7-18)19-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2
InChIKeyQQKRWRWITXVNQN-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.63
Rot. Bonds4

About 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde

5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde (PubChem CID 759800) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
PubChem CID759800
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H9BrClFO2/c15-10-4-5-14(9(6-10)7-18)19-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2
InChIKeyQQKRWRWITXVNQN-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

6-Bromo-2-(2-fluorophenyl)chromen-4-one
CID 930570
5-Bromo-2-(prop-2-yn-1-yloxy)benzaldehyde
CID 2120276
2-[(2-Chlorobenzyl)oxy]benzaldehyde
CID 693298
2-[(4-Chlorophenyl)methoxy]benzaldehyde
CID 693299
2-(Benzyloxy)-5-bromobenzaldehyde
CID 733087
2-(3-bromophenyl)-6-chloro-4H-chromen-4-one
CID 919323
3'-Bromo-6-fluoroflavone
CID 2778581
6-Bromo-2-(4-fluorophenyl)chromen-4-one
CID 11023592
6-Bromo-2-(3-fluorophenyl)-4H-chromen-4-one
CID 44298641
6-Bromo-2-(3-chlorophenyl)-4h-chromen-4-one
CID 44298914
5-Bromo-2-ethoxybenzaldehyde
CID 144901
6-Bromo-4'-chloroflavone
CID 688988

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde (CID 759800) is 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde is O=Cc1cc(Br)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is QQKRWRWITXVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c15-10-4-5-14(9(6-10)7-18)19-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2.
What are the key properties of 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
5-bromo-2-[(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 5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 759800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).