5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde

C16H15FO3 — CID 107697932

IUPAC5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
SMILESCC(O)(COc1ccc(F)cc1C=O)c1ccccc1
InChIInChI=1S/C16H15FO3/c1-16(19,13-5-3-2-4-6-13)11-20-15-8-7-14(17)9-12(15)10-18/h2-10,19H,11H2,1H3
InChIKeyMNWDXPUWRBHOIK-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.92
Rot. Bonds5

About 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde

5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde (PubChem CID 107697932) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
PubChem CID107697932
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
SMILESCC(O)(COc1ccc(F)cc1C=O)c1ccccc1
InChIInChI=1S/C16H15FO3/c1-16(19,13-5-3-2-4-6-13)11-20-15-8-7-14(17)9-12(15)10-18/h2-10,19H,11H2,1H3
InChIKeyMNWDXPUWRBHOIK-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.92
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

1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 63366269
2-(2-hydroxy-2-phenylpropoxy)benzoic acid
CID 62374978
3-(4-fluoro-2-formylphenoxy)propanoic acid
CID 107697641
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol
CID 63367980
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222
1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol
CID 116689725
5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 91619201
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
3-[2-[(E)-2-carboxyethenyl]-4-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 107699666

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde?
The IUPAC name of 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde (CID 107697932) is 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde is CC(O)(COc1ccc(F)cc1C=O)c1ccccc1.
What is the InChIKey of 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde?
The InChIKey is MNWDXPUWRBHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-16(19,13-5-3-2-4-6-13)11-20-15-8-7-14(17)9-12(15)10-18/h2-10,19H,11H2,1H3.
What are the key properties of 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde?
5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde has a molecular weight of 274.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde is sourced from PubChem (CID 107697932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).