4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde

C15H13FO3 — CID 116810904

IUPAC4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
SMILESCOc1cccc(OC)c1-c1ccc(C=O)cc1F
InChIInChI=1S/C15H13FO3/c1-18-13-4-3-5-14(19-2)15(13)11-7-6-10(9-17)8-12(11)16/h3-9H,1-2H3
InChIKeyAFYSENOGJURTQO-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.32
Rot. Bonds4

About 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde

4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde (PubChem CID 116810904) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
PubChem CID116810904
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
SMILESCOc1cccc(OC)c1-c1ccc(C=O)cc1F
InChIInChI=1S/C15H13FO3/c1-18-13-4-3-5-14(19-2)15(13)11-7-6-10(9-17)8-12(11)16/h3-9H,1-2H3
InChIKeyAFYSENOGJURTQO-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.32
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-fluoro-4-(2-fluoro-3-methoxyphenyl)benzaldehyde
CID 82811705
5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 95931045
3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde
CID 113370173
3-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
CID 81447461
[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 116810937
4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde
CID 81446712
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 116810918
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
3-fluoro-4-(3-fluoro-5-methylphenyl)benzaldehyde
CID 81447027

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde (CID 116810904) is 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde is COc1cccc(OC)c1-c1ccc(C=O)cc1F.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde?
The InChIKey is AFYSENOGJURTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-13-4-3-5-14(19-2)15(13)11-7-6-10(9-17)8-12(11)16/h3-9H,1-2H3.
What are the key properties of 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde?
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde has a molecular weight of 260.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde is sourced from PubChem (CID 116810904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).