3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde

C15H13FO3 — CID 818604

IUPAC3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1COc1ccccc1F
InChIInChI=1S/C15H13FO3/c1-18-14-7-6-11(9-17)8-12(14)10-19-15-5-3-2-4-13(15)16/h2-9H,10H2,1H3
InChIKeyRXVVMJTWVLQTIH-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.23
Rot. Bonds5

About 3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde

3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde (PubChem CID 818604) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
PubChem CID818604
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1COc1ccccc1F
InChIInChI=1S/C15H13FO3/c1-18-14-7-6-11(9-17)8-12(14)10-19-15-5-3-2-4-13(15)16/h2-9H,10H2,1H3
InChIKeyRXVVMJTWVLQTIH-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-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 3503454
(E)-1-(2,5-dimethoxyphenyl)-3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19568880
(E)-1-(2,4-dichlorophenyl)-3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19564756
(E)-3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557412
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
3-[(2-bromo-4-methylphenoxy)methyl]-4-methoxybenzaldehyde
CID 60778594
4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 842707
3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
CID 102876852
3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propan-1-amine
CID 165355065
(E)-1-(1,5-dimethylpyrazol-4-yl)-3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19563280
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde (CID 818604) is 3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1COc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde?
The InChIKey is RXVVMJTWVLQTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-14-7-6-11(9-17)8-12(14)10-19-15-5-3-2-4-13(15)16/h2-9H,10H2,1H3.
What are the key properties of 3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde?
3-[(2-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-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 818604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).