methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate

C25H23NO4 — CID 67685081

IUPACmethyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2c(-c3cccc(OC)c3)cc3cc(OC)ccc32)c1
InChIInChI=1S/C25H23NO4/c1-28-21-9-5-7-18(13-21)24-15-20-14-22(29-2)10-11-23(20)26(24)16-17-6-4-8-19(12-17)25(27)30-3/h4-15H,16H2,1-3H3
InChIKeyFONIMRHCHDUFGR-UHFFFAOYSA-N
MW401.46 g/mol
LogP5.16
Rot. Bonds6

About methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate

methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate (PubChem CID 67685081) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
PubChem CID67685081
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Namemethyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2c(-c3cccc(OC)c3)cc3cc(OC)ccc32)c1
InChIInChI=1S/C25H23NO4/c1-28-21-9-5-7-18(13-21)24-15-20-14-22(29-2)10-11-23(20)26(24)16-17-6-4-8-19(12-17)25(27)30-3/h4-15H,16H2,1-3H3
InChIKeyFONIMRHCHDUFGR-UHFFFAOYSA-N
XLogP5.16
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate
CID 67685235
methyl 3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoate
CID 67684489
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
3-[[2-(furan-2-yl)-5-methoxyindol-1-yl]methyl]benzoic acid
CID 67684562
3-[[2-phenyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoic acid
CID 67684519
methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
CID 67684990
1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801220
5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
CID 164622798
methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate
CID 56851756
methyl 3-[[4-bromo-2-(3-methoxycarbonylphenyl)benzimidazol-1-yl]methyl]benzoate
CID 166067492
ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate
CID 67684745

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate (CID 67685081) is methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate is COC(=O)c1cccc(Cn2c(-c3cccc(OC)c3)cc3cc(OC)ccc32)c1.
What is the InChIKey of methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate?
The InChIKey is FONIMRHCHDUFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-28-21-9-5-7-18(13-21)24-15-20-14-22(29-2)10-11-23(20)26(24)16-17-6-4-8-19(12-17)25(27)30-3/h4-15H,16H2,1-3H3.
What are the key properties of methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate?
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate has a molecular weight of 401.46 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate is sourced from PubChem (CID 67685081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).