3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde

C16H15FO2 — CID 113370173

IUPAC3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde
SMILESCOc1cc(C)c(-c2ccc(C=O)cc2F)cc1C
InChIInChI=1S/C16H15FO2/c1-10-7-16(19-3)11(2)6-14(10)13-5-4-12(9-18)8-15(13)17/h4-9H,1-3H3
InChIKeyCPACBYHYHZTBMA-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.93
Rot. Bonds3

About 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde

3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde (PubChem CID 113370173) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde
PubChem CID113370173
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde
SMILESCOc1cc(C)c(-c2ccc(C=O)cc2F)cc1C
InChIInChI=1S/C16H15FO2/c1-10-7-16(19-3)11(2)6-14(10)13-5-4-12(9-18)8-15(13)17/h4-9H,1-3H3
InChIKeyCPACBYHYHZTBMA-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904
4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde
CID 81446712
3-(2,4-difluoro-5-methylphenyl)-4-methylbenzaldehyde
CID 105409734
3-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
CID 81447461
3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172652041
3-fluoro-4-(2,3,4-trifluorophenyl)benzaldehyde
CID 81448027
4-(4-chloro-3-methoxyphenyl)-3-methylbenzaldehyde
CID 81447221
3-fluoro-4-(3-fluoro-5-methylphenyl)benzaldehyde
CID 81447027
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035
4-(3,5-difluorophenyl)-3-methylbenzaldehyde
CID 81448215

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde?
The IUPAC name of 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde (CID 113370173) is 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde is COc1cc(C)c(-c2ccc(C=O)cc2F)cc1C.
What is the InChIKey of 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde?
The InChIKey is CPACBYHYHZTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10-7-16(19-3)11(2)6-14(10)13-5-4-12(9-18)8-15(13)17/h4-9H,1-3H3.
What are the key properties of 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde?
3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde has a molecular weight of 258.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methoxy-2,5-dimethylphenyl)benzaldehyde is sourced from PubChem (CID 113370173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).