methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate

C21H20O5 — CID 135035851

IUPACmethyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate
SMILESCOC(=O)C1=C(OC)C2OC1(C)c1cccc(OCc3ccccc3)c12
InChIInChI=1S/C21H20O5/c1-21-14-10-7-11-15(25-12-13-8-5-4-6-9-13)16(14)18(26-21)19(23-2)17(21)20(22)24-3/h4-11,18H,12H2,1-3H3
InChIKeyDEAQKFOGSIXHEF-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.64
Rot. Bonds5

About methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate

methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate (PubChem CID 135035851) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate.

Molecular Properties

Compound Namemethyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate
PubChem CID135035851
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Namemethyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate
SMILESCOC(=O)C1=C(OC)C2OC1(C)c1cccc(OCc3ccccc3)c12
InChIInChI=1S/C21H20O5/c1-21-14-10-7-11-15(25-12-13-8-5-4-6-9-13)16(14)18(26-21)19(23-2)17(21)20(22)24-3/h4-11,18H,12H2,1-3H3
InChIKeyDEAQKFOGSIXHEF-UHFFFAOYSA-N
XLogP3.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate with MolForge

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Related Compounds

dimethyl (1R,8R)-1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 98487675
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate
CID 101093466
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 1-oxido-3-phenylmethoxypyridin-1-ium-2-carboxylate
CID 15239991
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 146486756
methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate
CID 10041568
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
dimethyl 1-benzyl-4,5-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 23259703
1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117457732
2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid
CID 174211752

Frequently Asked Questions

What is the IUPAC name of methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate?
The IUPAC name of methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate (CID 135035851) is methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate.
What is the SMILES notation for methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate?
The canonical SMILES for methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate is COC(=O)C1=C(OC)C2OC1(C)c1cccc(OCc3ccccc3)c12.
What is the InChIKey of methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate?
The InChIKey is DEAQKFOGSIXHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-21-14-10-7-11-15(25-12-13-8-5-4-6-9-13)16(14)18(26-21)19(23-2)17(21)20(22)24-3/h4-11,18H,12H2,1-3H3.
What are the key properties of methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate?
methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate is sourced from PubChem (CID 135035851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).