4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol

C13H10F2O3 — CID 159484859

IUPAC4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol
SMILESO=Cc1ccc(F)cc1O.Oc1cccc(F)c1
InChIInChI=1S/C7H5FO2.C6H5FO/c8-6-2-1-5(4-9)7(10)3-6;7-5-2-1-3-6(8)4-5/h1-4,10H;1-4,8H
InChIKeyLXLMRESXCIOQNE-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.88
Rot. Bonds1

About 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol

4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol (PubChem CID 159484859) has the molecular formula C13H10F2O3 and a molecular weight of 252.22 g/mol. Its IUPAC name is 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol.

Molecular Properties

Compound Name4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol
PubChem CID159484859
Molecular FormulaC13H10F2O3
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol
SMILESO=Cc1ccc(F)cc1O.Oc1cccc(F)c1
InChIInChI=1S/C7H5FO2.C6H5FO/c8-6-2-1-5(4-9)7(10)3-6;7-5-2-1-3-6(8)4-5/h1-4,10H;1-4,8H
InChIKeyLXLMRESXCIOQNE-UHFFFAOYSA-N
XLogP2.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220290
3-fluorophenol;zirconium(2+);dichloride
CID 174390857
3-(4-fluoro-2-hydroxyphenyl)prop-2-enal
CID 169458747
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
1,3-difluorobenzene;formic acid
CID 158586074
2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde
CID 53220480
2-fluoro-3-hydroxybenzaldehyde
CID 587789
5-fluoro-2-(2-methylprop-1-enyl)phenol
CID 125494528
4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220375
4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220432
4-fluoro-2-methylbenzaldehyde
CID 2783217
4-(fluoromethyl)-2-hydroxybenzaldehyde
CID 88915997

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol?
The IUPAC name of 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol (CID 159484859) is 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol.
What is the SMILES notation for 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol?
The canonical SMILES for 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol is O=Cc1ccc(F)cc1O.Oc1cccc(F)c1.
What is the InChIKey of 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol?
The InChIKey is LXLMRESXCIOQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO2.C6H5FO/c8-6-2-1-5(4-9)7(10)3-6;7-5-2-1-3-6(8)4-5/h1-4,10H;1-4,8H.
What are the key properties of 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol?
4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol has a molecular weight of 252.22 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol is sourced from PubChem (CID 159484859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).