methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate

C14H11FO5 — CID 169335186

IUPACmethyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate
SMILESCOC(=O)c1cc(F)c(OC)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C14H11FO5/c1-18-13-10(12-4-3-9(7-16)20-12)5-8(6-11(13)15)14(17)19-2/h3-7H,1-2H3
InChIKeyDSHFEHXXOUMLRM-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.69
Rot. Bonds4

About methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate

methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate (PubChem CID 169335186) has the molecular formula C14H11FO5 and a molecular weight of 278.24 g/mol. Its IUPAC name is methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate
PubChem CID169335186
Molecular FormulaC14H11FO5
Molecular Weight278.24 g/mol
Exact Mass278.06
IUPAC Namemethyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate
SMILESCOC(=O)c1cc(F)c(OC)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C14H11FO5/c1-18-13-10(12-4-3-9(7-16)20-12)5-8(6-11(13)15)14(17)19-2/h3-7H,1-2H3
InChIKeyDSHFEHXXOUMLRM-UHFFFAOYSA-N
XLogP2.69
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-(5-formylfuran-2-yl)-2-methyl-1,3-benzoxazole-5-carboxylate
CID 166431194
methyl 3-fluoro-5-formamido-4-methoxybenzoate
CID 168652166
5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde
CID 169333694
3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide
CID 169335091
methyl 4-(4-benzoylpiperazin-1-yl)-3-(5-formylfuran-2-yl)benzoate
CID 169334489
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(2,4-dimethoxy-3-methyl-5-nitrophenyl)furan-2-carbaldehyde
CID 169332956
methyl 1-(5-formylfuran-2-yl)naphthalene-2-carboxylate
CID 169335441
5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335865
propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate
CID 169332455
5-(4-bromo-2-methoxy-3-methylphenyl)furan-2-carbaldehyde
CID 169333130
5-(6-methoxy-1H-indol-4-yl)furan-2-carbaldehyde
CID 169333714

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate?
The IUPAC name of methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate (CID 169335186) is methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate.
What is the SMILES notation for methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate?
The canonical SMILES for methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate is COC(=O)c1cc(F)c(OC)c(-c2ccc(C=O)o2)c1.
What is the InChIKey of methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate?
The InChIKey is DSHFEHXXOUMLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO5/c1-18-13-10(12-4-3-9(7-16)20-12)5-8(6-11(13)15)14(17)19-2/h3-7H,1-2H3.
What are the key properties of methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate?
methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate has a molecular weight of 278.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate is sourced from PubChem (CID 169335186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).