5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde

C17H17FO4 — CID 86643140

IUPAC5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde
SMILESCOc1ccc(C(OC)(OC)c2ccc(F)c(C=O)c2)cc1
InChIInChI=1S/C17H17FO4/c1-20-15-7-4-13(5-8-15)17(21-2,22-3)14-6-9-16(18)12(10-14)11-19/h4-11H,1-3H3
InChIKeyUTUZKEGCCDWDBE-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.14
Rot. Bonds6

About 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde

5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde (PubChem CID 86643140) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde.

Molecular Properties

Compound Name5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde
PubChem CID86643140
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde
SMILESCOc1ccc(C(OC)(OC)c2ccc(F)c(C=O)c2)cc1
InChIInChI=1S/C17H17FO4/c1-20-15-7-4-13(5-8-15)17(21-2,22-3)14-6-9-16(18)12(10-14)11-19/h4-11H,1-3H3
InChIKeyUTUZKEGCCDWDBE-UHFFFAOYSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
2-methoxyethyl 2-(4-fluoro-3-formylphenyl)propane-2-sulfonate
CID 151662428
3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 175076410
2-fluoro-5-(2,2,2-trifluoroethoxy)benzaldehyde
CID 155798145
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913849
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158
1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde
CID 167713797
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684

Frequently Asked Questions

What is the IUPAC name of 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde?
The IUPAC name of 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde (CID 86643140) is 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde.
What is the SMILES notation for 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde?
The canonical SMILES for 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde is COc1ccc(C(OC)(OC)c2ccc(F)c(C=O)c2)cc1.
What is the InChIKey of 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde?
The InChIKey is UTUZKEGCCDWDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-20-15-7-4-13(5-8-15)17(21-2,22-3)14-6-9-16(18)12(10-14)11-19/h4-11H,1-3H3.
What are the key properties of 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde?
5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde has a molecular weight of 304.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde is sourced from PubChem (CID 86643140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).