2-(3-fluoro-4-methoxyphenyl)acetaldehyde

C9H9FO2 — CID 62796139

IUPAC2-(3-fluoro-4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(CC=O)cc1F
InChIInChI=1S/C9H9FO2/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,5-6H,4H2,1H3
InChIKeyGMJKUCNCFKMDED-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)acetaldehyde

2-(3-fluoro-4-methoxyphenyl)acetaldehyde (PubChem CID 62796139) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)acetaldehyde
PubChem CID62796139
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-(3-fluoro-4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(CC=O)cc1F
InChIInChI=1S/C9H9FO2/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,5-6H,4H2,1H3
InChIKeyGMJKUCNCFKMDED-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-fluoro-4-methoxyphenyl)acetaldehyde 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-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene
CID 79603773
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
2-(4-ethyl-3-methoxyphenyl)acetaldehyde
CID 87726186
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene
CID 78851396
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632650
5-(4-fluoro-3-methoxyphenyl)pentanal
CID 147282830
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)acetaldehyde (CID 62796139) is 2-(3-fluoro-4-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)acetaldehyde is COc1ccc(CC=O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)acetaldehyde?
The InChIKey is GMJKUCNCFKMDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)acetaldehyde?
2-(3-fluoro-4-methoxyphenyl)acetaldehyde has a molecular weight of 168.17 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 62796139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).