methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate

C20H22O6Se — CID 58884067

IUPACmethyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate
SMILESCOC(=O)c1cc(C[Se]Cc2ccc(OC)c(C(=O)OC)c2)ccc1OC
InChIInChI=1S/C20H22O6Se/c1-23-17-7-5-13(9-15(17)19(21)25-3)11-27-12-14-6-8-18(24-2)16(10-14)20(22)26-4/h5-10H,11-12H2,1-4H3
InChIKeyYCEYNGUVPDGMGE-UHFFFAOYSA-N
MW437.35 g/mol
LogP2.68
Rot. Bonds8

About methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate

methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate (PubChem CID 58884067) has the molecular formula C20H22O6Se and a molecular weight of 437.35 g/mol. Its IUPAC name is methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate
PubChem CID58884067
Molecular FormulaC20H22O6Se
Molecular Weight437.35 g/mol
Exact Mass438.06
IUPAC Namemethyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate
SMILESCOC(=O)c1cc(C[Se]Cc2ccc(OC)c(C(=O)OC)c2)ccc1OC
InChIInChI=1S/C20H22O6Se/c1-23-17-7-5-13(9-15(17)19(21)25-3)11-27-12-14-6-8-18(24-2)16(10-14)20(22)26-4/h5-10H,11-12H2,1-4H3
InChIKeyYCEYNGUVPDGMGE-UHFFFAOYSA-N
XLogP2.68
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(aminooxymethyl)-2-methoxybenzoate
CID 59478628
methyl 2-methoxy-5-[[4-(oxan-2-yloxy)phenyl]methylselanylmethyl]benzoate
CID 58884248
methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate
CID 51179291
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
methyl 5-[[(2,2-difluoro-3-hydroxy-3-methylbutanoyl)amino]methyl]-2-methoxybenzoate
CID 100610786
methyl 5-[(but-2-ynoylamino)methyl]-2-methoxybenzoate
CID 146076174
methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate
CID 160887785
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
methyl 5-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 111232807
methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
CID 51265623
5-ethyl-2-methoxybenzoic acid
CID 20721149
methyl 2-methoxy-5-[[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]benzoate;hydroiodide
CID 111376377

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate (CID 58884067) is methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate is COC(=O)c1cc(C[Se]Cc2ccc(OC)c(C(=O)OC)c2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate?
The InChIKey is YCEYNGUVPDGMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6Se/c1-23-17-7-5-13(9-15(17)19(21)25-3)11-27-12-14-6-8-18(24-2)16(10-14)20(22)26-4/h5-10H,11-12H2,1-4H3.
What are the key properties of methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate?
methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate has a molecular weight of 437.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate is sourced from PubChem (CID 58884067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).