3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde

C14H9Br2FO2 — CID 55222594

IUPAC3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Br)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H9Br2FO2/c15-12-3-1-2-9(7-18)14(12)19-8-10-4-5-11(17)6-13(10)16/h1-7H,8H2
InChIKeyKCUOMDIYMNCJOX-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.74
Rot. Bonds4

About 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde

3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde (PubChem CID 55222594) has the molecular formula C14H9Br2FO2 and a molecular weight of 388.03 g/mol. Its IUPAC name is 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
PubChem CID55222594
Molecular FormulaC14H9Br2FO2
Molecular Weight388.03 g/mol
Exact Mass385.90
IUPAC Name3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Br)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H9Br2FO2/c15-12-3-1-2-9(7-18)14(12)19-8-10-4-5-11(17)6-13(10)16/h1-7H,8H2
InChIKeyKCUOMDIYMNCJOX-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 54.74
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

1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
CID 63535034
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
CID 55225437
2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde
CID 1253349
4-[(2-bromo-6-formylphenoxy)methyl]-3-methylbenzonitrile
CID 114482392
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434
[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112612374
2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
CID 107873441
3-bromo-2-butoxybenzaldehyde
CID 61390829

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde (CID 55222594) is 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde is O=Cc1cccc(Br)c1OCc1ccc(F)cc1Br.
What is the InChIKey of 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is KCUOMDIYMNCJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FO2/c15-12-3-1-2-9(7-18)14(12)19-8-10-4-5-11(17)6-13(10)16/h1-7H,8H2.
What are the key properties of 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde?
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde has a molecular weight of 388.03 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 55222594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).