4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde

C14H10ClFO2 — CID 91655713

IUPAC4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H10ClFO2/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-8H,9H2
InChIKeyJQLFJRPJILBKPY-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.87
Rot. Bonds4

About 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde

4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde (PubChem CID 91655713) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
PubChem CID91655713
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H10ClFO2/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-8H,9H2
InChIKeyJQLFJRPJILBKPY-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.87
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-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102794503
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
CID 107881269
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
CID 107888358
4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
CID 107888345
5-[(4-chloro-3-fluorophenyl)methoxy]-1H-indole
CID 107888362

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde (CID 91655713) is 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is JQLFJRPJILBKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-8H,9H2.
What are the key properties of 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde?
4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde has a molecular weight of 264.68 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 91655713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).