3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde

C16H15FO3 — CID 172652041

IUPAC3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
SMILESCOCc1cc(OC)ccc1-c1ccc(C=O)cc1F
InChIInChI=1S/C16H15FO3/c1-19-10-12-8-13(20-2)4-6-14(12)15-5-3-11(9-18)7-16(15)17/h3-9H,10H2,1-2H3
InChIKeyWNRONZVBRCWUPY-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.46
Rot. Bonds5

About 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde

3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde (PubChem CID 172652041) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
PubChem CID172652041
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
SMILESCOCc1cc(OC)ccc1-c1ccc(C=O)cc1F
InChIInChI=1S/C16H15FO3/c1-19-10-12-8-13(20-2)4-6-14(12)15-5-3-11(9-18)7-16(15)17/h3-9H,10H2,1-2H3
InChIKeyWNRONZVBRCWUPY-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
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

3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172651683
3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde
CID 172652021
3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 172652029
3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
CID 102876852
3-fluoro-4-(2-fluoro-3-methoxyphenyl)benzaldehyde
CID 82811705
4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
CID 79884305
1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene
CID 172652027
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde
CID 113370173
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde?
The IUPAC name of 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde (CID 172652041) is 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde is COCc1cc(OC)ccc1-c1ccc(C=O)cc1F.
What is the InChIKey of 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde?
The InChIKey is WNRONZVBRCWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-10-12-8-13(20-2)4-6-14(12)15-5-3-11(9-18)7-16(15)17/h3-9H,10H2,1-2H3.
What are the key properties of 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde?
3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde has a molecular weight of 274.29 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde is sourced from PubChem (CID 172652041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).