4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde

C16H15FO2 — CID 172876946

IUPAC4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
SMILESCOc1cccc(-c2cc(C)c(C=O)c(C)c2)c1F
InChIInChI=1S/C16H15FO2/c1-10-7-12(8-11(2)14(10)9-18)13-5-4-6-15(19-3)16(13)17/h4-9H,1-3H3
InChIKeyLESAUWFMEFXHDO-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.93
Rot. Bonds3

About 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde

4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde (PubChem CID 172876946) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
PubChem CID172876946
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
SMILESCOc1cccc(-c2cc(C)c(C=O)c(C)c2)c1F
InChIInChI=1S/C16H15FO2/c1-10-7-12(8-11(2)14(10)9-18)13-5-4-6-15(19-3)16(13)17/h4-9H,1-3H3
InChIKeyLESAUWFMEFXHDO-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

4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220432
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
3-fluoro-4-(2-fluoro-3-methoxyphenyl)benzaldehyde
CID 82811705
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
5-(2-fluoro-3-methoxyphenyl)-3-methylpyridin-2-amine
CID 83170169
2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
CID 172876936
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 173256042
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde
CID 172868912

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde (CID 172876946) is 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde is COc1cccc(-c2cc(C)c(C=O)c(C)c2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde?
The InChIKey is LESAUWFMEFXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10-7-12(8-11(2)14(10)9-18)13-5-4-6-15(19-3)16(13)17/h4-9H,1-3H3.
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde?
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde 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 4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde is sourced from PubChem (CID 172876946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).