methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate

C28H36O8 — CID 70118184

IUPACmethyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCCOc1ccc(C2c3cc(OCCC)c(OC)cc3C(CC(=O)OC)C2C(=O)OC)cc1OC
InChIInChI=1S/C28H36O8/c1-7-11-35-21-10-9-17(13-22(21)31-3)26-19-15-24(36-12-8-2)23(32-4)14-18(19)20(16-25(29)33-5)27(26)28(30)34-6/h9-10,13-15,20,26-27H,7-8,11-12,16H2,1-6H3
InChIKeyHLUYSSYJXDNGFO-UHFFFAOYSA-N
MW500.59 g/mol
LogP4.86
Rot. Bonds12

About methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate

methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 70118184) has the molecular formula C28H36O8 and a molecular weight of 500.59 g/mol. Its IUPAC name is methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID70118184
Molecular FormulaC28H36O8
Molecular Weight500.59 g/mol
Exact Mass500.24
IUPAC Namemethyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCCOc1ccc(C2c3cc(OCCC)c(OC)cc3C(CC(=O)OC)C2C(=O)OC)cc1OC
InChIInChI=1S/C28H36O8/c1-7-11-35-21-10-9-17(13-22(21)31-3)26-19-15-24(36-12-8-2)23(32-4)14-18(19)20(16-25(29)33-5)27(26)28(30)34-6/h9-10,13-15,20,26-27H,7-8,11-12,16H2,1-6H3
InChIKeyHLUYSSYJXDNGFO-UHFFFAOYSA-N
XLogP4.86
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate with MolForge

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Related Compounds

2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 154383415
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
dimethyl 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 3113100
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
1-(carboxymethyl)-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 15558740
methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 15893367
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331555
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
[4-[(1R,2S,3S)-6-acetyloxy-3-ethyl-5-methoxy-2-methyl-2,3-dihydro-1H-inden-1-yl]-2-methoxyphenyl] acetate
CID 99947252
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate (CID 70118184) is methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate is CCCOc1ccc(C2c3cc(OCCC)c(OC)cc3C(CC(=O)OC)C2C(=O)OC)cc1OC.
What is the InChIKey of methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is HLUYSSYJXDNGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O8/c1-7-11-35-21-10-9-17(13-22(21)31-3)26-19-15-24(36-12-8-2)23(32-4)14-18(19)20(16-25(29)33-5)27(26)28(30)34-6/h9-10,13-15,20,26-27H,7-8,11-12,16H2,1-6H3.
What are the key properties of methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate?
methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 500.59 g/mol, XLogP of 4.86, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 70118184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).