3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal

C10H11FO3 — CID 117287722

IUPAC3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal
SMILESCOc1ccc(CCC=O)c(O)c1F
InChIInChI=1S/C10H11FO3/c1-14-8-5-4-7(3-2-6-12)10(13)9(8)11/h4-6,13H,2-3H2,1H3
InChIKeyKSACCCAGMZCMRT-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.67
Rot. Bonds4

About 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal

3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal (PubChem CID 117287722) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal.

Molecular Properties

Compound Name3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal
PubChem CID117287722
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal
SMILESCOc1ccc(CCC=O)c(O)c1F
InChIInChI=1S/C10H11FO3/c1-14-8-5-4-7(3-2-6-12)10(13)9(8)11/h4-6,13H,2-3H2,1H3
InChIKeyKSACCCAGMZCMRT-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.67
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

6-(2-aminoethyl)-2-fluoro-3-methoxyphenol
CID 84769662
3-(3-fluoro-2,4-dihydroxyphenyl)propanal
CID 117279746
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
3-(3,4-dimethoxy-2-methylsulfanylphenyl)propanal
CID 117353644
4-(2-fluoro-3-methoxyphenyl)butanal
CID 104795063
2-(2,3-dihydroxy-4-methoxyphenyl)acetaldehyde
CID 87549008
3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal
CID 117284468
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
CID 117311204
3-(5-chloro-2-hydroxy-4-methoxyphenyl)propanal
CID 117305887
3-[2,4-difluoro-3-(methoxymethyl)phenyl]propanal
CID 117305242
3-(5-tert-butyl-2-hydroxy-3-methoxyphenyl)propanal
CID 117345291

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal?
The IUPAC name of 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal (CID 117287722) is 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal.
What is the SMILES notation for 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal?
The canonical SMILES for 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal is COc1ccc(CCC=O)c(O)c1F.
What is the InChIKey of 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal?
The InChIKey is KSACCCAGMZCMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-14-8-5-4-7(3-2-6-12)10(13)9(8)11/h4-6,13H,2-3H2,1H3.
What are the key properties of 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal?
3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal has a molecular weight of 198.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal is sourced from PubChem (CID 117287722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).