2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde

C9H9FO3 — CID 103395038

IUPAC2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde
SMILESCOc1ccc(C(O)C=O)c(F)c1
InChIInChI=1S/C9H9FO3/c1-13-6-2-3-7(8(10)4-6)9(12)5-11/h2-5,9,12H,1H3
InChIKeyOFHKTAXEKBOSMB-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.07
Rot. Bonds3

About 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde

2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde (PubChem CID 103395038) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde
PubChem CID103395038
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde
SMILESCOc1ccc(C(O)C=O)c(F)c1
InChIInChI=1S/C9H9FO3/c1-13-6-2-3-7(8(10)4-6)9(12)5-11/h2-5,9,12H,1H3
InChIKeyOFHKTAXEKBOSMB-UHFFFAOYSA-N
XLogP1.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.07
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

bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
2-(2-fluoro-4-methoxyphenyl)-2-methylsulfonylacetaldehyde
CID 87259348
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
CID 61081494
3-(2-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870108
4-(2-fluoro-4-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877553
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
4-(2-fluoro-4-methoxyphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297395
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde (CID 103395038) is 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde is COc1ccc(C(O)C=O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde?
The InChIKey is OFHKTAXEKBOSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-13-6-2-3-7(8(10)4-6)9(12)5-11/h2-5,9,12H,1H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde?
2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde has a molecular weight of 184.17 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde is sourced from PubChem (CID 103395038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).