5-fluoro-2,4-dimethoxybenzaldehyde

C9H9FO3 — CID 10035290

IUPAC5-fluoro-2,4-dimethoxybenzaldehyde
SMILESCOc1cc(OC)c(C=O)cc1F
InChIInChI=1S/C9H9FO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3
InChIKeyQPJPELUSHAZZHM-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.66
Rot. Bonds3

About 5-fluoro-2,4-dimethoxybenzaldehyde

5-fluoro-2,4-dimethoxybenzaldehyde (PubChem CID 10035290) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 5-fluoro-2,4-dimethoxybenzaldehyde.

Molecular Properties

Compound Name5-fluoro-2,4-dimethoxybenzaldehyde
PubChem CID10035290
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name5-fluoro-2,4-dimethoxybenzaldehyde
SMILESCOc1cc(OC)c(C=O)cc1F
InChIInChI=1S/C9H9FO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3
InChIKeyQPJPELUSHAZZHM-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
4-fluoro-2-iodo-5-methoxybenzaldehyde
CID 171016936
5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
CID 131331528
5-acetyl-4-fluoro-2-methoxybenzaldehyde
CID 171009098
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde
CID 144870158
4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
CID 164891680
4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
CID 84668094
5-ethynyl-2,4-dimethoxybenzaldehyde
CID 102448041
2-(2-bromoacetyl)-4-fluoro-5-methoxybenzaldehyde
CID 171009532

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dimethoxybenzaldehyde?
The IUPAC name of 5-fluoro-2,4-dimethoxybenzaldehyde (CID 10035290) is 5-fluoro-2,4-dimethoxybenzaldehyde.
What is the SMILES notation for 5-fluoro-2,4-dimethoxybenzaldehyde?
The canonical SMILES for 5-fluoro-2,4-dimethoxybenzaldehyde is COc1cc(OC)c(C=O)cc1F.
What is the InChIKey of 5-fluoro-2,4-dimethoxybenzaldehyde?
The InChIKey is QPJPELUSHAZZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3.
What are the key properties of 5-fluoro-2,4-dimethoxybenzaldehyde?
5-fluoro-2,4-dimethoxybenzaldehyde has a molecular weight of 184.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dimethoxybenzaldehyde is sourced from PubChem (CID 10035290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).