5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde

C11H13FO3 — CID 123862248

IUPAC5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde
SMILESCOC(O)CCc1ccc(F)cc1C=O
InChIInChI=1S/C11H13FO3/c1-15-11(14)5-3-8-2-4-10(12)6-9(8)7-13/h2,4,6-7,11,14H,3,5H2,1H3
InChIKeyOOBFJNWKAHIHIL-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.54
Rot. Bonds5

About 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde

5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde (PubChem CID 123862248) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde
PubChem CID123862248
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde
SMILESCOC(O)CCc1ccc(F)cc1C=O
InChIInChI=1S/C11H13FO3/c1-15-11(14)5-3-8-2-4-10(12)6-9(8)7-13/h2,4,6-7,11,14H,3,5H2,1H3
InChIKeyOOBFJNWKAHIHIL-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(2-hydroxypropyl)benzaldehyde
CID 117279046
ethyl 5-fluoro-2-formylbenzoate
CID 124705480
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
2-(4-chloro-1,2-dihydroxybutyl)-5-fluorobenzaldehyde
CID 171893688
methyl 3-(2-formyl-4-methoxyphenyl)propanoate
CID 87139942
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
3-[4-(difluoromethoxy)-2-formylphenyl]propanoic acid
CID 118829937
3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal
CID 55262322
3-(2,5-difluorophenyl)-1,1-dimethoxypropan-2-one
CID 79493020
2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
CID 117279374

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde (CID 123862248) is 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde is COC(O)CCc1ccc(F)cc1C=O.
What is the InChIKey of 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde?
The InChIKey is OOBFJNWKAHIHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-15-11(14)5-3-8-2-4-10(12)6-9(8)7-13/h2,4,6-7,11,14H,3,5H2,1H3.
What are the key properties of 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde?
5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde has a molecular weight of 212.22 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde is sourced from PubChem (CID 123862248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).