2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal

C10H11FO3 — CID 82805418

IUPAC2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
SMILESCOc1cccc(C(C)(O)C=O)c1F
InChIInChI=1S/C10H11FO3/c1-10(13,6-12)7-4-3-5-8(14-2)9(7)11/h3-6,13H,1-2H3
InChIKeyJWADJVFVNZDLMZ-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.24
Rot. Bonds3

About 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal

2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal (PubChem CID 82805418) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
PubChem CID82805418
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
SMILESCOc1cccc(C(C)(O)C=O)c1F
InChIInChI=1S/C10H11FO3/c1-10(13,6-12)7-4-3-5-8(14-2)9(7)11/h3-6,13H,1-2H3
InChIKeyJWADJVFVNZDLMZ-UHFFFAOYSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-difluorophenyl)-2-hydroxypropanal
CID 66037904
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
4-(ethylamino)-2-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 82811754
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylphenyl)ethanol
CID 82806005
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82805505
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 82805823
2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol
CID 82806354
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82808045
3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 82811080

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal (CID 82805418) is 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal is COc1cccc(C(C)(O)C=O)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal?
The InChIKey is JWADJVFVNZDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-10(13,6-12)7-4-3-5-8(14-2)9(7)11/h3-6,13H,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal?
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal has a molecular weight of 198.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal is sourced from PubChem (CID 82805418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).