methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate

C17H15FO5 — CID 175954957

IUPACmethyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2C=O)ccc(OC)c1F
InChIInChI=1S/C17H15FO5/c1-21-11-4-5-12(10(8-11)9-19)13-6-7-14(22-2)16(18)15(13)17(20)23-3/h4-9H,1-3H3
InChIKeyVQJIJQFOQKYITD-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.11
Rot. Bonds5

About methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate

methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate (PubChem CID 175954957) has the molecular formula C17H15FO5 and a molecular weight of 318.30 g/mol. Its IUPAC name is methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate
PubChem CID175954957
Molecular FormulaC17H15FO5
Molecular Weight318.30 g/mol
Exact Mass318.09
IUPAC Namemethyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2C=O)ccc(OC)c1F
InChIInChI=1S/C17H15FO5/c1-21-11-4-5-12(10(8-11)9-19)13-6-7-14(22-2)16(18)15(13)17(20)23-3/h4-9H,1-3H3
InChIKeyVQJIJQFOQKYITD-UHFFFAOYSA-N
XLogP3.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.11
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

2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
2-(2-acetylphenyl)-5-methoxybenzaldehyde
CID 42645450
2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
CID 114077817
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520
2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
CID 174287412
methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
methyl 2-formyl-6-methoxybenzoate
CID 12730360
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763
dimethyl 3,6-diformylbenzene-1,2-dicarboxylate
CID 145162990

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate?
The IUPAC name of methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate (CID 175954957) is methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate.
What is the SMILES notation for methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate?
The canonical SMILES for methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate is COC(=O)c1c(-c2ccc(OC)cc2C=O)ccc(OC)c1F.
What is the InChIKey of methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate?
The InChIKey is VQJIJQFOQKYITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO5/c1-21-11-4-5-12(10(8-11)9-19)13-6-7-14(22-2)16(18)15(13)17(20)23-3/h4-9H,1-3H3.
What are the key properties of methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate?
methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate has a molecular weight of 318.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate is sourced from PubChem (CID 175954957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).