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

C14H10F2O2 — CID 105403637

IUPAC2-[(3,5-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C14H10F2O2/c15-12-5-10(6-13(16)7-12)9-18-14-4-2-1-3-11(14)8-17/h1-8H,9H2
InChIKeyVUEQUWVCDZFBGZ-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.36
Rot. Bonds4

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

2-[(3,5-difluorophenyl)methoxy]benzaldehyde (PubChem CID 105403637) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methoxy]benzaldehyde
PubChem CID105403637
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-[(3,5-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C14H10F2O2/c15-12-5-10(6-13(16)7-12)9-18-14-4-2-1-3-11(14)8-17/h1-8H,9H2
InChIKeyVUEQUWVCDZFBGZ-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.36
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-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 115980639
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
2-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 103978417
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
2-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697277
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde
CID 79705645

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 2-[(3,5-difluorophenyl)methoxy]benzaldehyde (CID 105403637) is 2-[(3,5-difluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-[(3,5-difluorophenyl)methoxy]benzaldehyde is O=Cc1ccccc1OCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methoxy]benzaldehyde?
The InChIKey is VUEQUWVCDZFBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-12-5-10(6-13(16)7-12)9-18-14-4-2-1-3-11(14)8-17/h1-8H,9H2.
What are the key properties of 2-[(3,5-difluorophenyl)methoxy]benzaldehyde?
2-[(3,5-difluorophenyl)methoxy]benzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 105403637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).