2-(4-methoxy-2-methylindol-1-yl)acetic acid

C12H13NO3 — CID 18735254

IUPAC2-(4-methoxy-2-methylindol-1-yl)acetic acid
SMILESCOc1cccc2c1cc(C)n2CC(=O)O
InChIInChI=1S/C12H13NO3/c1-8-6-9-10(13(8)7-12(14)15)4-3-5-11(9)16-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyBRXNXRCDUHEOJR-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.04
Rot. Bonds3

About 2-(4-methoxy-2-methylindol-1-yl)acetic acid

2-(4-methoxy-2-methylindol-1-yl)acetic acid (PubChem CID 18735254) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-2-methylindol-1-yl)acetic acid
PubChem CID18735254
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(4-methoxy-2-methylindol-1-yl)acetic acid
SMILESCOc1cccc2c1cc(C)n2CC(=O)O
InChIInChI=1S/C12H13NO3/c1-8-6-9-10(13(8)7-12(14)15)4-3-5-11(9)16-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyBRXNXRCDUHEOJR-UHFFFAOYSA-N
XLogP2.04
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
CID 117120626
2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid
CID 174486241
2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid
CID 146018170
(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
2-(4-methoxy-3-methylindazol-1-yl)acetic acid
CID 84685422
2-(1-benzyl-2-methylindol-4-yl)oxy-2-fluorobutanoic acid
CID 158658145
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
CID 175749965
2-(1-ethyl-4-methoxyindol-2-yl)propan-2-ol
CID 117120548
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
methyl 2-(1-benzyl-2-methylindol-4-yl)oxy-4-methylpentanoate
CID 59170301

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylindol-1-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-2-methylindol-1-yl)acetic acid (CID 18735254) is 2-(4-methoxy-2-methylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-2-methylindol-1-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-2-methylindol-1-yl)acetic acid is COc1cccc2c1cc(C)n2CC(=O)O.
What is the InChIKey of 2-(4-methoxy-2-methylindol-1-yl)acetic acid?
The InChIKey is BRXNXRCDUHEOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-6-9-10(13(8)7-12(14)15)4-3-5-11(9)16-2/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methoxy-2-methylindol-1-yl)acetic acid?
2-(4-methoxy-2-methylindol-1-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylindol-1-yl)acetic acid is sourced from PubChem (CID 18735254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).