3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde

C14H9ClF2O2 — CID 112611434

IUPAC3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCc1cc(F)ccc1F
InChIInChI=1S/C14H9ClF2O2/c15-12-3-1-2-9(7-18)14(12)19-8-10-6-11(16)4-5-13(10)17/h1-7H,8H2
InChIKeyQAAYNMBORRVANC-UHFFFAOYSA-N
MW282.67 g/mol
LogP4.01
Rot. Bonds4

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

3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde (PubChem CID 112611434) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is 3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
PubChem CID112611434
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCc1cc(F)ccc1F
InChIInChI=1S/C14H9ClF2O2/c15-12-3-1-2-9(7-18)14(12)19-8-10-6-11(16)4-5-13(10)17/h1-7H,8H2
InChIKeyQAAYNMBORRVANC-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 54.01
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-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
CID 112611220
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
3-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 102876870
3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 115955681
3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 112611304
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
CID 55222594
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074
3-[(2-chloro-6-formylphenoxy)methyl]-4-methoxybenzonitrile
CID 115955624
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde (CID 112611434) is 3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde is O=Cc1cccc(Cl)c1OCc1cc(F)ccc1F.
What is the InChIKey of 3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde?
The InChIKey is QAAYNMBORRVANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c15-12-3-1-2-9(7-18)14(12)19-8-10-6-11(16)4-5-13(10)17/h1-7H,8H2.
What are the key properties of 3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde?
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde has a molecular weight of 282.67 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 112611434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).