3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde

C15H12F2O3 — CID 82039124

IUPAC3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(-c2cc(F)ccc2F)c1OC
InChIInChI=1S/C15H12F2O3/c1-19-14-6-9(8-18)5-12(15(14)20-2)11-7-10(16)3-4-13(11)17/h3-8H,1-2H3
InChIKeyFFKHNUZSIJLKHE-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.46
Rot. Bonds4

About 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde

3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde (PubChem CID 82039124) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde
PubChem CID82039124
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(-c2cc(F)ccc2F)c1OC
InChIInChI=1S/C15H12F2O3/c1-19-14-6-9(8-18)5-12(15(14)20-2)11-7-10(16)3-4-13(11)17/h3-8H,1-2H3
InChIKeyFFKHNUZSIJLKHE-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.46
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

1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 82039295
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927
N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 2358363
3-bromo-6-fluoro-2-methoxybenzaldehyde;1-bromo-4-fluoro-2-methoxybenzene;deuterio(fluoro)methane
CID 161300941
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
2-(2,5-difluorophenyl)-6-methoxyphenol
CID 83129806
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzaldehyde
CID 170440980

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde?
The IUPAC name of 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde (CID 82039124) is 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde is COc1cc(C=O)cc(-c2cc(F)ccc2F)c1OC.
What is the InChIKey of 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde?
The InChIKey is FFKHNUZSIJLKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-14-6-9(8-18)5-12(15(14)20-2)11-7-10(16)3-4-13(11)17/h3-8H,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde?
3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde has a molecular weight of 278.25 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 82039124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).