methyl 5-formyl-2-methoxybenzoate

C10H10O4 — CID 10856352

IUPACmethyl 5-formyl-2-methoxybenzoate
SMILESCOC(=O)c1cc(C=O)ccc1OC
InChIInChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3
InChIKeyCNRMXICSYWVJRD-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.29
Rot. Bonds3

About methyl 5-formyl-2-methoxybenzoate

methyl 5-formyl-2-methoxybenzoate (PubChem CID 10856352) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 5-formyl-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-formyl-2-methoxybenzoate
PubChem CID10856352
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namemethyl 5-formyl-2-methoxybenzoate
SMILESCOC(=O)c1cc(C=O)ccc1OC
InChIInChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3
InChIKeyCNRMXICSYWVJRD-UHFFFAOYSA-N
XLogP1.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-formyl-2-methoxybenzoate?
The IUPAC name of methyl 5-formyl-2-methoxybenzoate (CID 10856352) is methyl 5-formyl-2-methoxybenzoate.
What is the SMILES notation for methyl 5-formyl-2-methoxybenzoate?
The canonical SMILES for methyl 5-formyl-2-methoxybenzoate is COC(=O)c1cc(C=O)ccc1OC.
What is the InChIKey of methyl 5-formyl-2-methoxybenzoate?
The InChIKey is CNRMXICSYWVJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3.
What are the key properties of methyl 5-formyl-2-methoxybenzoate?
methyl 5-formyl-2-methoxybenzoate has a molecular weight of 194.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-formyl-2-methoxybenzoate is sourced from PubChem (CID 10856352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).