4-(18F)fluoro-2-methoxy(18F)benzaldehyde

C8H7FO2 — CID 14816736

IUPAC4-(18F)fluoro-2-methoxy(18F)benzaldehyde
SMILESCOc1cc([18F])ccc1C=O
InChIInChI=1S/C8H7FO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3/i9-1
InChIKeyPTKRQIRPNNIORO-RVRFMXCPSA-N
MW153.14 g/mol
LogP1.65
Rot. Bonds2

About 4-(18F)fluoro-2-methoxy(18F)benzaldehyde

4-(18F)fluoro-2-methoxy(18F)benzaldehyde (PubChem CID 14816736) has the molecular formula C8H7FO2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-(18F)fluoro-2-methoxy(18F)benzaldehyde.

Molecular Properties

Compound Name4-(18F)fluoro-2-methoxy(18F)benzaldehyde
PubChem CID14816736
Molecular FormulaC8H7FO2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name4-(18F)fluoro-2-methoxy(18F)benzaldehyde
SMILESCOc1cc([18F])ccc1C=O
InChIInChI=1S/C8H7FO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3/i9-1
InChIKeyPTKRQIRPNNIORO-RVRFMXCPSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(18F)fluoro-2-methoxy(18F)benzaldehyde 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-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
4-fluoro-2-propoxybenzaldehyde
CID 74889364
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
CID 90314663
(Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid
CID 155664666
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
(5-fluoro-2-formylphenyl) propan-2-yl carbonate
CID 87274217
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979
4-fluoro-2-methylbenzaldehyde
CID 2783217

Frequently Asked Questions

What is the IUPAC name of 4-(18F)fluoro-2-methoxy(18F)benzaldehyde?
The IUPAC name of 4-(18F)fluoro-2-methoxy(18F)benzaldehyde (CID 14816736) is 4-(18F)fluoro-2-methoxy(18F)benzaldehyde.
What is the SMILES notation for 4-(18F)fluoro-2-methoxy(18F)benzaldehyde?
The canonical SMILES for 4-(18F)fluoro-2-methoxy(18F)benzaldehyde is COc1cc([18F])ccc1C=O.
What is the InChIKey of 4-(18F)fluoro-2-methoxy(18F)benzaldehyde?
The InChIKey is PTKRQIRPNNIORO-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H7FO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3/i9-1.
What are the key properties of 4-(18F)fluoro-2-methoxy(18F)benzaldehyde?
4-(18F)fluoro-2-methoxy(18F)benzaldehyde has a molecular weight of 153.14 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(18F)fluoro-2-methoxy(18F)benzaldehyde is sourced from PubChem (CID 14816736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).