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

C15H12F2O3 — CID 164891680

IUPAC4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(-c2ccc(F)c(F)c2)c(OC)cc1C=O
InChIInChI=1S/C15H12F2O3/c1-19-14-7-11(15(20-2)6-10(14)8-18)9-3-4-12(16)13(17)5-9/h3-8H,1-2H3
InChIKeyAQYVHVFEVCJENI-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.46
Rot. Bonds4

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

4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde (PubChem CID 164891680) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
PubChem CID164891680
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(-c2ccc(F)c(F)c2)c(OC)cc1C=O
InChIInChI=1S/C15H12F2O3/c1-19-14-7-11(15(20-2)6-10(14)8-18)9-3-4-12(16)13(17)5-9/h3-8H,1-2H3
InChIKeyAQYVHVFEVCJENI-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

2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 115502475
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde
CID 103523706
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520
2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde?
The IUPAC name of 4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde (CID 164891680) is 4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde is COc1cc(-c2ccc(F)c(F)c2)c(OC)cc1C=O.
What is the InChIKey of 4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde?
The InChIKey is AQYVHVFEVCJENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-14-7-11(15(20-2)6-10(14)8-18)9-3-4-12(16)13(17)5-9/h3-8H,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde?
4-(3,4-difluorophenyl)-2,5-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 4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde is sourced from PubChem (CID 164891680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).