5-fluoro-4-hydroxy-2-propylbenzaldehyde

C10H11FO2 — CID 176998466

IUPAC5-fluoro-4-hydroxy-2-propylbenzaldehyde
SMILESCCCc1cc(O)c(F)cc1C=O
InChIInChI=1S/C10H11FO2/c1-2-3-7-5-10(13)9(11)4-8(7)6-12/h4-6,13H,2-3H2,1H3
InChIKeyHWGYBPVHZIEQLZ-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.30
Rot. Bonds3

About 5-fluoro-4-hydroxy-2-propylbenzaldehyde

5-fluoro-4-hydroxy-2-propylbenzaldehyde (PubChem CID 176998466) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-propylbenzaldehyde.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-propylbenzaldehyde
PubChem CID176998466
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name5-fluoro-4-hydroxy-2-propylbenzaldehyde
SMILESCCCc1cc(O)c(F)cc1C=O
InChIInChI=1S/C10H11FO2/c1-2-3-7-5-10(13)9(11)4-8(7)6-12/h4-6,13H,2-3H2,1H3
InChIKeyHWGYBPVHZIEQLZ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-propylbenzaldehyde?
The IUPAC name of 5-fluoro-4-hydroxy-2-propylbenzaldehyde (CID 176998466) is 5-fluoro-4-hydroxy-2-propylbenzaldehyde.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-propylbenzaldehyde?
The canonical SMILES for 5-fluoro-4-hydroxy-2-propylbenzaldehyde is CCCc1cc(O)c(F)cc1C=O.
What is the InChIKey of 5-fluoro-4-hydroxy-2-propylbenzaldehyde?
The InChIKey is HWGYBPVHZIEQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-2-3-7-5-10(13)9(11)4-8(7)6-12/h4-6,13H,2-3H2,1H3.
What are the key properties of 5-fluoro-4-hydroxy-2-propylbenzaldehyde?
5-fluoro-4-hydroxy-2-propylbenzaldehyde has a molecular weight of 182.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-propylbenzaldehyde is sourced from PubChem (CID 176998466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).