2-fluoro-6-methoxy-4-methylbenzaldehyde

C9H9FO2 — CID 74891129

IUPAC2-fluoro-6-methoxy-4-methylbenzaldehyde
SMILESCOc1cc(C)cc(F)c1C=O
InChIInChI=1S/C9H9FO2/c1-6-3-8(10)7(5-11)9(4-6)12-2/h3-5H,1-2H3
InChIKeyCXPWMRJQBISSCA-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.96
Rot. Bonds2

About 2-fluoro-6-methoxy-4-methylbenzaldehyde

2-fluoro-6-methoxy-4-methylbenzaldehyde (PubChem CID 74891129) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-methylbenzaldehyde
PubChem CID74891129
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-fluoro-6-methoxy-4-methylbenzaldehyde
SMILESCOc1cc(C)cc(F)c1C=O
InChIInChI=1S/C9H9FO2/c1-6-3-8(10)7(5-11)9(4-6)12-2/h3-5H,1-2H3
InChIKeyCXPWMRJQBISSCA-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.96
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

2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde
CID 164891594
2,3,4-trifluoro-6-methoxybenzaldehyde
CID 105443995
2-chloro-6-fluoro-4-methylbenzaldehyde
CID 90021510
2-(2-formyl-3-methoxy-5-methylphenyl)acetonitrile
CID 171022535
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950
(2-fluoro-6-methoxy-4-methylphenyl) trifluoromethanesulfonate
CID 150516413
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
(2-fluoro-6-methoxy-4-methylphenyl)iminoazanium
CID 20746841
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84626540
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-methylbenzaldehyde?
The IUPAC name of 2-fluoro-6-methoxy-4-methylbenzaldehyde (CID 74891129) is 2-fluoro-6-methoxy-4-methylbenzaldehyde.
What is the SMILES notation for 2-fluoro-6-methoxy-4-methylbenzaldehyde?
The canonical SMILES for 2-fluoro-6-methoxy-4-methylbenzaldehyde is COc1cc(C)cc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-methoxy-4-methylbenzaldehyde?
The InChIKey is CXPWMRJQBISSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6-3-8(10)7(5-11)9(4-6)12-2/h3-5H,1-2H3.
What are the key properties of 2-fluoro-6-methoxy-4-methylbenzaldehyde?
2-fluoro-6-methoxy-4-methylbenzaldehyde has a molecular weight of 168.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-methylbenzaldehyde is sourced from PubChem (CID 74891129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).