4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde

C10H7FO2 — CID 124707662

IUPAC4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde
SMILESO=Cc1ccc(F)cc1C#CCO
InChIInChI=1S/C10H7FO2/c11-10-4-3-9(7-13)8(6-10)2-1-5-12/h3-4,6-7,12H,5H2
InChIKeyKRWKAGSUWDVBGO-UHFFFAOYSA-N
MW178.16 g/mol
LogP0.98
Rot. Bonds1

About 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde

4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde (PubChem CID 124707662) has the molecular formula C10H7FO2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde
PubChem CID124707662
Molecular FormulaC10H7FO2
Molecular Weight178.16 g/mol
Exact Mass178.04
IUPAC Name4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde
SMILESO=Cc1ccc(F)cc1C#CCO
InChIInChI=1S/C10H7FO2/c11-10-4-3-9(7-13)8(6-10)2-1-5-12/h3-4,6-7,12H,5H2
InChIKeyKRWKAGSUWDVBGO-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethylphenyl)ethynyl]-4-fluorobenzaldehyde
CID 138968018
4-(4-fluoro-2-formylphenyl)but-3-ynamide
CID 170472912
3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluorophenyl]prop-2-yn-1-ol
CID 54922552
[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-pyrrolidin-1-ylmethanone
CID 54921940
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]ethanesulfonamide
CID 54922451
4-(3-hydroxyprop-1-ynyl)-2-methylbenzaldehyde
CID 169484946
N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 60804187
5-fluoro-2-hept-1-ynylbenzaldehyde
CID 42644255
5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde
CID 169485084
5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
CID 169453203
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232817

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde?
The IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde (CID 124707662) is 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde.
What is the SMILES notation for 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde?
The canonical SMILES for 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde is O=Cc1ccc(F)cc1C#CCO.
What is the InChIKey of 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde?
The InChIKey is KRWKAGSUWDVBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2/c11-10-4-3-9(7-13)8(6-10)2-1-5-12/h3-4,6-7,12H,5H2.
What are the key properties of 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde?
4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde has a molecular weight of 178.16 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde is sourced from PubChem (CID 124707662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).