methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate

C18H24O6 — CID 134953195

IUPACmethyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate
SMILESCCOC1=C(C(=O)OC)[C@H](c2cccc(OC)c2OC)OC1(C)C
InChIInChI=1S/C18H24O6/c1-7-23-16-13(17(19)22-6)15(24-18(16,2)3)11-9-8-10-12(20-4)14(11)21-5/h8-10,15H,7H2,1-6H3/t15-/m0/s1
InChIKeyYYEIFQBALMWXQW-HNNXBMFYSA-N
MW336.38 g/mol
LogP3.02
Rot. Bonds6

About methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate

methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate (PubChem CID 134953195) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate
PubChem CID134953195
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Namemethyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate
SMILESCCOC1=C(C(=O)OC)[C@H](c2cccc(OC)c2OC)OC1(C)C
InChIInChI=1S/C18H24O6/c1-7-23-16-13(17(19)22-6)15(24-18(16,2)3)11-9-8-10-12(20-4)14(11)21-5/h8-10,15H,7H2,1-6H3/t15-/m0/s1
InChIKeyYYEIFQBALMWXQW-HNNXBMFYSA-N
XLogP3.02
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-(4-acetyloxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate
CID 134953196
dimethyl 4-(2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4232319
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 4-(3-ethoxy-2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2934081
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl (7R)-7-(2,3-dimethoxyphenyl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 136664120
dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate
CID 101426959
dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate
CID 139628483
ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66205916
ethyl (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 818245
3-(2,3-dimethoxyphenyl)oxirane-2-carboxylic acid
CID 4076414
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate?
The IUPAC name of methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate (CID 134953195) is methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate.
What is the SMILES notation for methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate?
The canonical SMILES for methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate is CCOC1=C(C(=O)OC)[C@H](c2cccc(OC)c2OC)OC1(C)C.
What is the InChIKey of methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate?
The InChIKey is YYEIFQBALMWXQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24O6/c1-7-23-16-13(17(19)22-6)15(24-18(16,2)3)11-9-8-10-12(20-4)14(11)21-5/h8-10,15H,7H2,1-6H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate?
methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate has a molecular weight of 336.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate is sourced from PubChem (CID 134953195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).