5-fluoro-2-(2-hydroxypropyl)benzaldehyde

C10H11FO2 — CID 117279046

IUPAC5-fluoro-2-(2-hydroxypropyl)benzaldehyde
SMILESCC(O)Cc1ccc(F)cc1C=O
InChIInChI=1S/C10H11FO2/c1-7(13)4-8-2-3-10(11)5-9(8)6-12/h2-3,5-7,13H,4H2,1H3
InChIKeyWIOMGUIJHVSWKP-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.56
Rot. Bonds3

About 5-fluoro-2-(2-hydroxypropyl)benzaldehyde

5-fluoro-2-(2-hydroxypropyl)benzaldehyde (PubChem CID 117279046) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 5-fluoro-2-(2-hydroxypropyl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-hydroxypropyl)benzaldehyde
PubChem CID117279046
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name5-fluoro-2-(2-hydroxypropyl)benzaldehyde
SMILESCC(O)Cc1ccc(F)cc1C=O
InChIInChI=1S/C10H11FO2/c1-7(13)4-8-2-3-10(11)5-9(8)6-12/h2-3,5-7,13H,4H2,1H3
InChIKeyWIOMGUIJHVSWKP-UHFFFAOYSA-N
XLogP1.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
5-fluoro-2-(3-hydroxy-3-methoxypropyl)benzaldehyde
CID 123862248
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
5-fluoro-2-(1-oxopropan-2-yl)benzaldehyde
CID 134639432
3-(2-formyl-4-methylphenyl)-2-methylpropanoic acid
CID 117294712
N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde
CID 176923353
2-[2-[butan-2-yl(methyl)amino]ethyl]-4-fluorobenzaldehyde;difluoromethanol
CID 172605306
2-(bromomethyl)-4-fluorobenzaldehyde
CID 98041715
3-(4-fluoro-2-methylphenyl)-2-methylpropanal
CID 64665995
9-(2-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carbaldehyde
CID 117344751
ethyl 5-fluoro-2-formylbenzoate
CID 124705480
2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
CID 117279374

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-hydroxypropyl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(2-hydroxypropyl)benzaldehyde (CID 117279046) is 5-fluoro-2-(2-hydroxypropyl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-hydroxypropyl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(2-hydroxypropyl)benzaldehyde is CC(O)Cc1ccc(F)cc1C=O.
What is the InChIKey of 5-fluoro-2-(2-hydroxypropyl)benzaldehyde?
The InChIKey is WIOMGUIJHVSWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7(13)4-8-2-3-10(11)5-9(8)6-12/h2-3,5-7,13H,4H2,1H3.
What are the key properties of 5-fluoro-2-(2-hydroxypropyl)benzaldehyde?
5-fluoro-2-(2-hydroxypropyl)benzaldehyde has a molecular weight of 182.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-hydroxypropyl)benzaldehyde is sourced from PubChem (CID 117279046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).