methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate

C19H19NO4 — CID 110831380

IUPACmethyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2ccc3c(OC)cc(OC)cc32)c1
InChIInChI=1S/C19H19NO4/c1-22-15-10-17-16(18(11-15)23-2)7-8-20(17)12-13-5-4-6-14(9-13)19(21)24-3/h4-11H,12H2,1-3H3
InChIKeyBGULRURDOPSCEG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.49
Rot. Bonds5

About methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate

methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate (PubChem CID 110831380) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate
PubChem CID110831380
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2ccc3c(OC)cc(OC)cc32)c1
InChIInChI=1S/C19H19NO4/c1-22-15-10-17-16(18(11-15)23-2)7-8-20(17)12-13-5-4-6-14(9-13)19(21)24-3/h4-11H,12H2,1-3H3
InChIKeyBGULRURDOPSCEG-UHFFFAOYSA-N
XLogP3.49
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate
CID 56851756
3-[(4-methoxyindol-1-yl)methyl]phenol
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methyl 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 8721345
methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate
CID 56851741
methyl 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 9127839
3-[(4-methylindol-1-yl)methyl]benzamide
CID 116620217
methyl 3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoate
CID 67684489
methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate
CID 69453700
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
14-(4,6-dimethoxyindol-1-yl)tetradecan-2-ol
CID 24757358
methyl 3-[[(2-bromoacetyl)amino]methyl]benzoate
CID 58009722

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate?
The IUPAC name of methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate (CID 110831380) is methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate?
The canonical SMILES for methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate is COC(=O)c1cccc(Cn2ccc3c(OC)cc(OC)cc32)c1.
What is the InChIKey of methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate?
The InChIKey is BGULRURDOPSCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-15-10-17-16(18(11-15)23-2)7-8-20(17)12-13-5-4-6-14(9-13)19(21)24-3/h4-11H,12H2,1-3H3.
What are the key properties of methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate?
methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate has a molecular weight of 325.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate is sourced from PubChem (CID 110831380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).