3-fluoro-4-hydroxy-5-methylbenzaldehyde

C8H7FO2 — CID 58240544

IUPAC3-fluoro-4-hydroxy-5-methylbenzaldehyde
SMILESCc1cc(C=O)cc(F)c1O
InChIInChI=1S/C8H7FO2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-4,11H,1H3
InChIKeyPOYIEMITXPSBAB-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.65
Rot. Bonds1

About 3-fluoro-4-hydroxy-5-methylbenzaldehyde

3-fluoro-4-hydroxy-5-methylbenzaldehyde (PubChem CID 58240544) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-5-methylbenzaldehyde
PubChem CID58240544
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name3-fluoro-4-hydroxy-5-methylbenzaldehyde
SMILESCc1cc(C=O)cc(F)c1O
InChIInChI=1S/C8H7FO2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-4,11H,1H3
InChIKeyPOYIEMITXPSBAB-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.65
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

3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035
4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
CID 59720398
5-formyl-2-hydroxy-3-methylbenzoic acid
CID 158743279
4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde
CID 20793098
3,4,5-trihydroxybenzaldehyde
CID 157253405
2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol
CID 165087333
4-acetyl-3,5-difluorobenzaldehyde
CID 170901914
2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83873729
4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol
CID 164970428
2-fluoro-6-methyl-4-methylsulfanylphenol
CID 142559998
cyclohexanecarboxylic acid;4-hydroxy-3,5-dimethylbenzaldehyde
CID 160868308
2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol
CID 165080282

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-5-methylbenzaldehyde?
The IUPAC name of 3-fluoro-4-hydroxy-5-methylbenzaldehyde (CID 58240544) is 3-fluoro-4-hydroxy-5-methylbenzaldehyde.
What is the SMILES notation for 3-fluoro-4-hydroxy-5-methylbenzaldehyde?
The canonical SMILES for 3-fluoro-4-hydroxy-5-methylbenzaldehyde is Cc1cc(C=O)cc(F)c1O.
What is the InChIKey of 3-fluoro-4-hydroxy-5-methylbenzaldehyde?
The InChIKey is POYIEMITXPSBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-4,11H,1H3.
What are the key properties of 3-fluoro-4-hydroxy-5-methylbenzaldehyde?
3-fluoro-4-hydroxy-5-methylbenzaldehyde has a molecular weight of 154.14 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-5-methylbenzaldehyde is sourced from PubChem (CID 58240544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).