3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde

C15H13FO3 — CID 3503454

IUPAC3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1COc1cccc(F)c1
InChIInChI=1S/C15H13FO3/c1-18-15-6-5-11(9-17)7-12(15)10-19-14-4-2-3-13(16)8-14/h2-9H,10H2,1H3
InChIKeyRIEIRZPKYLJMEK-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.23
Rot. Bonds5

About 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde

3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde (PubChem CID 3503454) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
PubChem CID3503454
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1COc1cccc(F)c1
InChIInChI=1S/C15H13FO3/c1-18-15-6-5-11(9-17)7-12(15)10-19-14-4-2-3-13(16)8-14/h2-9H,10H2,1H3
InChIKeyRIEIRZPKYLJMEK-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.23
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

4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 842707
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
3-[(4-tert-butylphenoxy)methyl]-4-methoxybenzaldehyde
CID 673672
3-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzaldehyde
CID 9368529
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
3-[4-[(5-formyl-2-methoxyphenyl)methoxy]phenyl]propanoic acid
CID 4195976
4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzaldehyde
CID 590887
4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
3-[(2-bromo-4-methylphenoxy)methyl]-4-methoxybenzaldehyde
CID 60778594
1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole
CID 26050435
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde (CID 3503454) is 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1COc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde?
The InChIKey is RIEIRZPKYLJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-15-6-5-11(9-17)7-12(15)10-19-14-4-2-3-13(16)8-14/h2-9H,10H2,1H3.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde?
3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde has a molecular weight of 260.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 3503454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).