4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid

C15H19NO3 — CID 167379811

IUPAC4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid
SMILESCOc1ccc(C(C)C)c2c1c(C)c(C(=O)O)n2C
InChIInChI=1S/C15H19NO3/c1-8(2)10-6-7-11(19-5)12-9(3)13(15(17)18)16(4)14(10)12/h6-8H,1-5H3,(H,17,18)
InChIKeyMMRBANOEXUPRIT-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.32
Rot. Bonds3

About 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid

4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid (PubChem CID 167379811) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid
PubChem CID167379811
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid
SMILESCOc1ccc(C(C)C)c2c1c(C)c(C(=O)O)n2C
InChIInChI=1S/C15H19NO3/c1-8(2)10-6-7-11(19-5)12-9(3)13(15(17)18)16(4)14(10)12/h6-8H,1-5H3,(H,17,18)
InChIKeyMMRBANOEXUPRIT-UHFFFAOYSA-N
XLogP3.32
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-methoxy-1-methyl-3-propan-2-ylindole-2-carboxylic acid
CID 84642947
1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine
CID 170132242
1,3,4,5,6,7-hexamethylindole-2-carboxylic acid
CID 18735240
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
CID 142666969
3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
CID 102544072
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
CID 82498460
1-(2,4-dimethoxy-3-methylphenyl)-1-hydroxy-3-methylbutan-2-one
CID 116835996
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid?
The IUPAC name of 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid (CID 167379811) is 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid is COc1ccc(C(C)C)c2c1c(C)c(C(=O)O)n2C.
What is the InChIKey of 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid?
The InChIKey is MMRBANOEXUPRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-8(2)10-6-7-11(19-5)12-9(3)13(15(17)18)16(4)14(10)12/h6-8H,1-5H3,(H,17,18).
What are the key properties of 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid?
4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid is sourced from PubChem (CID 167379811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).