methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate

C19H18O6S — CID 19776920

IUPACmethyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate
SMILESCOC(=O)c1c(Sc2c(C=O)cc(C)cc2OC)ccc(C=O)c1OC
InChIInChI=1S/C19H18O6S/c1-11-7-13(10-21)18(14(8-11)23-2)26-15-6-5-12(9-20)17(24-3)16(15)19(22)25-4/h5-10H,1-4H3
InChIKeyFPJZPVHPTVYJRC-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.58
Rot. Bonds7

About methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate

methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate (PubChem CID 19776920) has the molecular formula C19H18O6S and a molecular weight of 374.41 g/mol. Its IUPAC name is methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate
PubChem CID19776920
Molecular FormulaC19H18O6S
Molecular Weight374.41 g/mol
Exact Mass374.08
IUPAC Namemethyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate
SMILESCOC(=O)c1c(Sc2c(C=O)cc(C)cc2OC)ccc(C=O)c1OC
InChIInChI=1S/C19H18O6S/c1-11-7-13(10-21)18(14(8-11)23-2)26-15-6-5-12(9-20)17(24-3)16(15)19(22)25-4/h5-10H,1-4H3
InChIKeyFPJZPVHPTVYJRC-UHFFFAOYSA-N
XLogP3.58
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate?
The IUPAC name of methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate (CID 19776920) is methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate.
What is the SMILES notation for methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate?
The canonical SMILES for methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate is COC(=O)c1c(Sc2c(C=O)cc(C)cc2OC)ccc(C=O)c1OC.
What is the InChIKey of methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate?
The InChIKey is FPJZPVHPTVYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6S/c1-11-7-13(10-21)18(14(8-11)23-2)26-15-6-5-12(9-20)17(24-3)16(15)19(22)25-4/h5-10H,1-4H3.
What are the key properties of methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate?
methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate has a molecular weight of 374.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyl-6-(2-formyl-6-methoxy-4-methylphenyl)sulfanyl-2-methoxybenzoate is sourced from PubChem (CID 19776920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).