2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate

C27H29NO6 — CID 16765460

IUPAC2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)n(CCc2ccc(OC)c(OC)c2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C27H29NO6/c1-17-25(27(30)34-14-13-31-2)21-16-22(29)19-7-5-6-8-20(19)26(21)28(17)12-11-18-9-10-23(32-3)24(15-18)33-4/h5-10,15-16,29H,11-14H2,1-4H3
InChIKeySDYMVNGLOPOMEW-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.87
Rot. Bonds9

About 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate

2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate (PubChem CID 16765460) has the molecular formula C27H29NO6 and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
PubChem CID16765460
Molecular FormulaC27H29NO6
Molecular Weight463.53 g/mol
Exact Mass463.20
IUPAC Name2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)n(CCc2ccc(OC)c(OC)c2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C27H29NO6/c1-17-25(27(30)34-14-13-31-2)21-16-22(29)19-7-5-6-8-20(19)26(21)28(17)12-11-18-9-10-23(32-3)24(15-18)33-4/h5-10,15-16,29H,11-14H2,1-4H3
InChIKeySDYMVNGLOPOMEW-UHFFFAOYSA-N
XLogP4.87
TPSA79.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 1-[3-[2-chloro-4-[hydroxy(oxido)amino]anilino]propyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
CID 163130982
ethyl 5-methoxy-2-methyl-1-(2-methylsulfonyloxyethyl)benzo[g]indole-3-carboxylate
CID 11395614
2-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylindol-3-yl]acetamide
CID 143367604
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54680056
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3723849
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile
CID 19118199
nonyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3841888
6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 944065
methyl 3-[4-carbamoyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-(4-methylphenyl)pyrrol-2-yl]propanoate
CID 5003330
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54706880

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate (CID 16765460) is 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate is COCCOC(=O)c1c(C)n(CCc2ccc(OC)c(OC)c2)c2c1cc(O)c1ccccc12.
What is the InChIKey of 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate?
The InChIKey is SDYMVNGLOPOMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO6/c1-17-25(27(30)34-14-13-31-2)21-16-22(29)19-7-5-6-8-20(19)26(21)28(17)12-11-18-9-10-23(32-3)24(15-18)33-4/h5-10,15-16,29H,11-14H2,1-4H3.
What are the key properties of 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate?
2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate has a molecular weight of 463.53 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate is sourced from PubChem (CID 16765460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).