methyl 2-formyl-6-methoxybenzoate

C10H10O4 — CID 12730360

IUPACmethyl 2-formyl-6-methoxybenzoate
SMILESCOC(=O)c1c(C=O)cccc1OC
InChIInChI=1S/C10H10O4/c1-13-8-5-3-4-7(6-11)9(8)10(12)14-2/h3-6H,1-2H3
InChIKeyFINGOCCQPUZZDR-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.29
Rot. Bonds3

About methyl 2-formyl-6-methoxybenzoate

methyl 2-formyl-6-methoxybenzoate (PubChem CID 12730360) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 2-formyl-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-formyl-6-methoxybenzoate
PubChem CID12730360
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namemethyl 2-formyl-6-methoxybenzoate
SMILESCOC(=O)c1c(C=O)cccc1OC
InChIInChI=1S/C10H10O4/c1-13-8-5-3-4-7(6-11)9(8)10(12)14-2/h3-6H,1-2H3
InChIKeyFINGOCCQPUZZDR-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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Related Compounds

methyl 2-formyl-6-iodobenzoate
CID 133057858
dimethyl 3,6-diformylbenzene-1,2-dicarboxylate
CID 145162990
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate
CID 75210644
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
methyl 2-iodo-6-methoxybenzoate
CID 91882308
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
methyl 2-methoxy-6-pentadec-1-enylbenzoate
CID 68929291
S-(2-formyl-6-methoxyphenyl) ethanethioate
CID 91264360

Frequently Asked Questions

What is the IUPAC name of methyl 2-formyl-6-methoxybenzoate?
The IUPAC name of methyl 2-formyl-6-methoxybenzoate (CID 12730360) is methyl 2-formyl-6-methoxybenzoate.
What is the SMILES notation for methyl 2-formyl-6-methoxybenzoate?
The canonical SMILES for methyl 2-formyl-6-methoxybenzoate is COC(=O)c1c(C=O)cccc1OC.
What is the InChIKey of methyl 2-formyl-6-methoxybenzoate?
The InChIKey is FINGOCCQPUZZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-8-5-3-4-7(6-11)9(8)10(12)14-2/h3-6H,1-2H3.
What are the key properties of methyl 2-formyl-6-methoxybenzoate?
methyl 2-formyl-6-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 2-formyl-6-methoxybenzoate is sourced from PubChem (CID 12730360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).