5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde

C8H6ClFO3 — CID 84778086

IUPAC5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
SMILESCOc1c(Cl)cc(C=O)c(O)c1F
InChIInChI=1S/C8H6ClFO3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3
InChIKeyPFVSRZZOSFIOCF-UHFFFAOYSA-N
MW204.58 g/mol
LogP2.01
Rot. Bonds2

About 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde

5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde (PubChem CID 84778086) has the molecular formula C8H6ClFO3 and a molecular weight of 204.58 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
PubChem CID84778086
Molecular FormulaC8H6ClFO3
Molecular Weight204.58 g/mol
Exact Mass204.00
IUPAC Name5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
SMILESCOc1c(Cl)cc(C=O)c(O)c1F
InChIInChI=1S/C8H6ClFO3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3
InChIKeyPFVSRZZOSFIOCF-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
CID 84684172
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
3-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)butanal
CID 117369112
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
CID 117314991
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
3,5-difluoro-2,4-dihydroxybenzaldehyde
CID 18942327
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614
3-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443306
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde?
The IUPAC name of 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde (CID 84778086) is 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde.
What is the SMILES notation for 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde?
The canonical SMILES for 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde is COc1c(Cl)cc(C=O)c(O)c1F.
What is the InChIKey of 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde?
The InChIKey is PFVSRZZOSFIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3.
What are the key properties of 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde?
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde has a molecular weight of 204.58 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde is sourced from PubChem (CID 84778086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).