4-fluoro-3-(methoxymethoxy)benzaldehyde

C9H9FO3 — CID 23143885

IUPAC4-fluoro-3-(methoxymethoxy)benzaldehyde
SMILESCOCOc1cc(C=O)ccc1F
InChIInChI=1S/C9H9FO3/c1-12-6-13-9-4-7(5-11)2-3-8(9)10/h2-5H,6H2,1H3
InChIKeyOCEDRDOZNFHFRR-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.62
Rot. Bonds4

About 4-fluoro-3-(methoxymethoxy)benzaldehyde

4-fluoro-3-(methoxymethoxy)benzaldehyde (PubChem CID 23143885) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethoxy)benzaldehyde
PubChem CID23143885
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name4-fluoro-3-(methoxymethoxy)benzaldehyde
SMILESCOCOc1cc(C=O)ccc1F
InChIInChI=1S/C9H9FO3/c1-12-6-13-9-4-7(5-11)2-3-8(9)10/h2-5H,6H2,1H3
InChIKeyOCEDRDOZNFHFRR-UHFFFAOYSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908
5-bromo-2-fluoro-4-(methoxymethoxy)benzaldehyde
CID 135380476
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
CID 14559752
4-(methoxymethoxy)-3-[(4-methylsulfanylphenyl)methyl]benzaldehyde
CID 86235418
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde
CID 161410830
5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 11334863
2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde
CID 164891594
4-(methoxymethoxy)-3-(3-methyl(414C)but-3-en-1-ynyl)(14C)benzaldehyde
CID 11776104
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethoxy)benzaldehyde?
The IUPAC name of 4-fluoro-3-(methoxymethoxy)benzaldehyde (CID 23143885) is 4-fluoro-3-(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 4-fluoro-3-(methoxymethoxy)benzaldehyde?
The canonical SMILES for 4-fluoro-3-(methoxymethoxy)benzaldehyde is COCOc1cc(C=O)ccc1F.
What is the InChIKey of 4-fluoro-3-(methoxymethoxy)benzaldehyde?
The InChIKey is OCEDRDOZNFHFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-12-6-13-9-4-7(5-11)2-3-8(9)10/h2-5H,6H2,1H3.
What are the key properties of 4-fluoro-3-(methoxymethoxy)benzaldehyde?
4-fluoro-3-(methoxymethoxy)benzaldehyde has a molecular weight of 184.17 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 23143885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).