3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde

C16H15FO4 — CID 102876852

IUPAC3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(COc2cc(C=O)ccc2OC)c(F)c1
InChIInChI=1S/C16H15FO4/c1-19-13-5-4-12(14(17)8-13)10-21-16-7-11(9-18)3-6-15(16)20-2/h3-9H,10H2,1-2H3
InChIKeyFHXMEVAQZKBZTR-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.23
Rot. Bonds6

About 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde

3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde (PubChem CID 102876852) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
PubChem CID102876852
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(COc2cc(C=O)ccc2OC)c(F)c1
InChIInChI=1S/C16H15FO4/c1-19-13-5-4-12(14(17)8-13)10-21-16-7-11(9-18)3-6-15(16)20-2/h3-9H,10H2,1-2H3
InChIKeyFHXMEVAQZKBZTR-UHFFFAOYSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 143085806
3-fluoro-4-[(4-formyl-2-methoxyphenoxy)methyl]benzonitrile
CID 24706374
[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102876040
4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 114849372
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172652041
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde (CID 102876852) is 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde is COc1ccc(COc2cc(C=O)ccc2OC)c(F)c1.
What is the InChIKey of 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde?
The InChIKey is FHXMEVAQZKBZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-19-13-5-4-12(14(17)8-13)10-21-16-7-11(9-18)3-6-15(16)20-2/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde?
3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde has a molecular weight of 290.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 102876852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).