3-(5-fluoro-2-methoxy-3-methylphenyl)propanal

C11H13FO2 — CID 117286131

IUPAC3-(5-fluoro-2-methoxy-3-methylphenyl)propanal
SMILESCOc1c(C)cc(F)cc1CCC=O
InChIInChI=1S/C11H13FO2/c1-8-6-10(12)7-9(4-3-5-13)11(8)14-2/h5-7H,3-4H2,1-2H3
InChIKeyMVOGEOFKWNFDMA-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.27
Rot. Bonds4

About 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal

3-(5-fluoro-2-methoxy-3-methylphenyl)propanal (PubChem CID 117286131) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxy-3-methylphenyl)propanal
PubChem CID117286131
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name3-(5-fluoro-2-methoxy-3-methylphenyl)propanal
SMILESCOc1c(C)cc(F)cc1CCC=O
InChIInChI=1S/C11H13FO2/c1-8-6-10(12)7-9(4-3-5-13)11(8)14-2/h5-7H,3-4H2,1-2H3
InChIKeyMVOGEOFKWNFDMA-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739
3-(5-fluoro-2-methylphenyl)propanal
CID 64522520
2-(5-fluoro-2-methoxy-3-methylphenyl)acetonitrile
CID 84767808
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
3-(2,4,5-trifluoro-3-methoxyphenyl)propanal
CID 117117805
3-(4-bromo-3,5-difluoro-2-methoxyphenyl)propanal
CID 117447255
3-(3-chloro-2,5-dimethoxy-4-methylphenyl)propanal
CID 117358681
3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal
CID 117284468
3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
CID 117374005
2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde
CID 23176648
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
3-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]propanal
CID 117328595

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal?
The IUPAC name of 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal (CID 117286131) is 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal.
What is the SMILES notation for 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal?
The canonical SMILES for 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal is COc1c(C)cc(F)cc1CCC=O.
What is the InChIKey of 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal?
The InChIKey is MVOGEOFKWNFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8-6-10(12)7-9(4-3-5-13)11(8)14-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal?
3-(5-fluoro-2-methoxy-3-methylphenyl)propanal has a molecular weight of 196.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxy-3-methylphenyl)propanal is sourced from PubChem (CID 117286131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).