3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde

C14H10ClFO2 — CID 102974979

IUPAC3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H10ClFO2/c15-12-4-5-14(16)11(7-12)9-18-13-3-1-2-10(6-13)8-17/h1-8H,9H2
InChIKeyIAKFZNCBPJXWNS-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.87
Rot. Bonds4

About 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde

3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde (PubChem CID 102974979) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
PubChem CID102974979
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H10ClFO2/c15-12-4-5-14(16)11(7-12)9-18-13-3-1-2-10(6-13)8-17/h1-8H,9H2
InChIKeyIAKFZNCBPJXWNS-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

3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde
CID 126674158
4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide
CID 107458163
3-[(3,4,5-trifluoro-2-methylphenyl)methoxy]benzaldehyde
CID 144776054
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
3-fluoro-4-[(3-formylphenoxy)methyl]benzonitrile
CID 24708023
3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 141490494
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 103049220
5-[[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598093
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126219727
3-[(5-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 103046763

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde (CID 102974979) is 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde is O=Cc1cccc(OCc2cc(Cl)ccc2F)c1.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is IAKFZNCBPJXWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c15-12-4-5-14(16)11(7-12)9-18-13-3-1-2-10(6-13)8-17/h1-8H,9H2.
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde?
3-[(5-chloro-2-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 3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 102974979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).