3-(5-fluoro-2-methylphenyl)propanal

C10H11FO — CID 64522520

IUPAC3-(5-fluoro-2-methylphenyl)propanal
SMILESCc1ccc(F)cc1CCC=O
InChIInChI=1S/C10H11FO/c1-8-4-5-10(11)7-9(8)3-2-6-12/h4-7H,2-3H2,1H3
InChIKeyWLZHKDNCRZIDBO-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.27
Rot. Bonds3

About 3-(5-fluoro-2-methylphenyl)propanal

3-(5-fluoro-2-methylphenyl)propanal (PubChem CID 64522520) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)propanal.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)propanal
PubChem CID64522520
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name3-(5-fluoro-2-methylphenyl)propanal
SMILESCc1ccc(F)cc1CCC=O
InChIInChI=1S/C10H11FO/c1-8-4-5-10(11)7-9(8)3-2-6-12/h4-7H,2-3H2,1H3
InChIKeyWLZHKDNCRZIDBO-UHFFFAOYSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 117276586
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CID 58127012
3-(2-hydroxy-4,5-dimethylphenyl)propanal
CID 117277791
N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide
CID 145231296
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
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3-(5-fluoro-2-methoxy-3-methylphenyl)propanal
CID 117286131
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
1-(5-fluoro-2-methylphenyl)but-3-en-2-one
CID 103453632
1-(5-fluoro-2-methylphenyl)heptan-4-one
CID 105375483
(E)-3-[4-methyl-3-(3-oxopropyl)phenyl]prop-2-enoic acid
CID 134628484
2-(3-chloro-4-methoxybutyl)-4-fluoro-1-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)propanal?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)propanal (CID 64522520) is 3-(5-fluoro-2-methylphenyl)propanal.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)propanal?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)propanal is Cc1ccc(F)cc1CCC=O.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)propanal?
The InChIKey is WLZHKDNCRZIDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-8-4-5-10(11)7-9(8)3-2-6-12/h4-7H,2-3H2,1H3.
What are the key properties of 3-(5-fluoro-2-methylphenyl)propanal?
3-(5-fluoro-2-methylphenyl)propanal has a molecular weight of 166.19 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)propanal is sourced from PubChem (CID 64522520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).