3-(4-ethoxy-2-fluorophenyl)propanal

C11H13FO2 — CID 117286118

IUPAC3-(4-ethoxy-2-fluorophenyl)propanal
SMILESCCOc1ccc(CCC=O)c(F)c1
InChIInChI=1S/C11H13FO2/c1-2-14-10-6-5-9(4-3-7-13)11(12)8-10/h5-8H,2-4H2,1H3
InChIKeyQAVQMCXTVZRNIF-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.36
Rot. Bonds5

About 3-(4-ethoxy-2-fluorophenyl)propanal

3-(4-ethoxy-2-fluorophenyl)propanal (PubChem CID 117286118) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-(4-ethoxy-2-fluorophenyl)propanal.

Molecular Properties

Compound Name3-(4-ethoxy-2-fluorophenyl)propanal
PubChem CID117286118
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name3-(4-ethoxy-2-fluorophenyl)propanal
SMILESCCOc1ccc(CCC=O)c(F)c1
InChIInChI=1S/C11H13FO2/c1-2-14-10-6-5-9(4-3-7-13)11(12)8-10/h5-8H,2-4H2,1H3
InChIKeyQAVQMCXTVZRNIF-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.36
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-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
3-[4-(difluoromethoxy)-2-fluorophenyl]propanal
CID 134621994
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde
CID 87669895
2-(4-ethoxy-2-fluorophenyl)acetonitrile
CID 84767796
3-[4-(difluoromethoxy)-2-ethoxyphenyl]propanal
CID 118834404
1-(4-ethoxy-2-fluorophenyl)propan-2-amine
CID 55254145
4-[(4-ethoxy-2-fluorophenyl)methyl]-5-methyl-2,3-dihydro-1H-pyrazole-3-carbaldehyde
CID 174564348
4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene
CID 83936665
3-[2-fluoro-4-[(1-propanoyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanal
CID 89062971
2-[(2,4-difluoro-3-methylphenyl)methyl]-5-ethoxybenzaldehyde
CID 91447744
1-[(4-ethoxy-2-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385540

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2-fluorophenyl)propanal?
The IUPAC name of 3-(4-ethoxy-2-fluorophenyl)propanal (CID 117286118) is 3-(4-ethoxy-2-fluorophenyl)propanal.
What is the SMILES notation for 3-(4-ethoxy-2-fluorophenyl)propanal?
The canonical SMILES for 3-(4-ethoxy-2-fluorophenyl)propanal is CCOc1ccc(CCC=O)c(F)c1.
What is the InChIKey of 3-(4-ethoxy-2-fluorophenyl)propanal?
The InChIKey is QAVQMCXTVZRNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-2-14-10-6-5-9(4-3-7-13)11(12)8-10/h5-8H,2-4H2,1H3.
What are the key properties of 3-(4-ethoxy-2-fluorophenyl)propanal?
3-(4-ethoxy-2-fluorophenyl)propanal has a molecular weight of 196.22 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2-fluorophenyl)propanal is sourced from PubChem (CID 117286118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).