2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde

C15H12BrFO3 — CID 883669

IUPAC2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(Br)cc1OCc1ccccc1F
InChIInChI=1S/C15H12BrFO3/c1-19-14-6-11(8-18)12(16)7-15(14)20-9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3
InChIKeyXEJZYDJKFRDDJT-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.99
Rot. Bonds5

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

2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde (PubChem CID 883669) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
PubChem CID883669
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(Br)cc1OCc1ccccc1F
InChIInChI=1S/C15H12BrFO3/c1-19-14-6-11(8-18)12(16)7-15(14)20-9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3
InChIKeyXEJZYDJKFRDDJT-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 126087766
(Z)-3-[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-2-cyano-N-methylprop-2-enamide
CID 126083785
(5E)-5-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 126102653
(E)-3-[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 126396075
(E)-3-[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21375076
(Z)-3-[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-N-carbamoyl-2-cyanoprop-2-enamide
CID 126259043
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 66534663
2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde
CID 21211267
2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde
CID 16637937
4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 58086251
4-fluoro-2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 91658405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
The IUPAC name of 2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde (CID 883669) is 2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde is COc1cc(C=O)c(Br)cc1OCc1ccccc1F.
What is the InChIKey of 2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
The InChIKey is XEJZYDJKFRDDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c1-19-14-6-11(8-18)12(16)7-15(14)20-9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde has a molecular weight of 339.16 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 883669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).