3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal

C9H8ClFO3 — CID 163848524

IUPAC3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal
SMILESO=CC(O)Cc1cc(Cl)c(O)cc1F
InChIInChI=1S/C9H8ClFO3/c10-7-2-5(1-6(13)4-12)8(11)3-9(7)14/h2-4,6,13-14H,1H2
InChIKeyOSHFVJMMKKPXNP-UHFFFAOYSA-N
MW218.61 g/mol
LogP1.29
Rot. Bonds3

About 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal

3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal (PubChem CID 163848524) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal.

Molecular Properties

Compound Name3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal
PubChem CID163848524
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal
SMILESO=CC(O)Cc1cc(Cl)c(O)cc1F
InChIInChI=1S/C9H8ClFO3/c10-7-2-5(1-6(13)4-12)8(11)3-9(7)14/h2-4,6,13-14H,1H2
InChIKeyOSHFVJMMKKPXNP-UHFFFAOYSA-N
XLogP1.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal
CID 103047677
1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one
CID 84671080
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117369120
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307767
2,5-dichloro-4-fluorophenol
CID 3535760
sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 56840544
2-(4-chloro-2,5-difluorophenyl)acetaldehyde
CID 88923166
6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal?
The IUPAC name of 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal (CID 163848524) is 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal.
What is the SMILES notation for 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal?
The canonical SMILES for 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal is O=CC(O)Cc1cc(Cl)c(O)cc1F.
What is the InChIKey of 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal?
The InChIKey is OSHFVJMMKKPXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c10-7-2-5(1-6(13)4-12)8(11)3-9(7)14/h2-4,6,13-14H,1H2.
What are the key properties of 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal?
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal has a molecular weight of 218.61 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal is sourced from PubChem (CID 163848524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).