4-fluoro-2-hydroxy-5-methoxybenzaldehyde

C8H7FO3 — CID 84653648

IUPAC4-fluoro-2-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(O)cc1F
InChIInChI=1S/C8H7FO3/c1-12-8-2-5(4-10)7(11)3-6(8)9/h2-4,11H,1H3
InChIKeyJZJNYLOUJBFSEK-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.35
Rot. Bonds2

About 4-fluoro-2-hydroxy-5-methoxybenzaldehyde

4-fluoro-2-hydroxy-5-methoxybenzaldehyde (PubChem CID 84653648) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-5-methoxybenzaldehyde
PubChem CID84653648
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Name4-fluoro-2-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(O)cc1F
InChIInChI=1S/C8H7FO3/c1-12-8-2-5(4-10)7(11)3-6(8)9/h2-4,11H,1H3
InChIKeyJZJNYLOUJBFSEK-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-5-methoxybenzaldehyde?
The IUPAC name of 4-fluoro-2-hydroxy-5-methoxybenzaldehyde (CID 84653648) is 4-fluoro-2-hydroxy-5-methoxybenzaldehyde.
What is the SMILES notation for 4-fluoro-2-hydroxy-5-methoxybenzaldehyde?
The canonical SMILES for 4-fluoro-2-hydroxy-5-methoxybenzaldehyde is COc1cc(C=O)c(O)cc1F.
What is the InChIKey of 4-fluoro-2-hydroxy-5-methoxybenzaldehyde?
The InChIKey is JZJNYLOUJBFSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c1-12-8-2-5(4-10)7(11)3-6(8)9/h2-4,11H,1H3.
What are the key properties of 4-fluoro-2-hydroxy-5-methoxybenzaldehyde?
4-fluoro-2-hydroxy-5-methoxybenzaldehyde has a molecular weight of 170.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-5-methoxybenzaldehyde is sourced from PubChem (CID 84653648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).