2-(4-methoxy-1H-indol-2-yl)acetic acid

C11H11NO3 — CID 28806414

IUPAC2-(4-methoxy-1H-indol-2-yl)acetic acid
SMILESCOc1cccc2[nH]c(CC(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-15-10-4-2-3-9-8(10)5-7(12-9)6-11(13)14/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyWKEUFZWVAOLOEK-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.80
Rot. Bonds3

About 2-(4-methoxy-1H-indol-2-yl)acetic acid

2-(4-methoxy-1H-indol-2-yl)acetic acid (PubChem CID 28806414) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(4-methoxy-1H-indol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-1H-indol-2-yl)acetic acid
PubChem CID28806414
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(4-methoxy-1H-indol-2-yl)acetic acid
SMILESCOc1cccc2[nH]c(CC(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-15-10-4-2-3-9-8(10)5-7(12-9)6-11(13)14/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyWKEUFZWVAOLOEK-UHFFFAOYSA-N
XLogP1.80
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1H-indol-2-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-1H-indol-2-yl)acetic acid (CID 28806414) is 2-(4-methoxy-1H-indol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-1H-indol-2-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-1H-indol-2-yl)acetic acid is COc1cccc2[nH]c(CC(=O)O)cc12.
What is the InChIKey of 2-(4-methoxy-1H-indol-2-yl)acetic acid?
The InChIKey is WKEUFZWVAOLOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-10-4-2-3-9-8(10)5-7(12-9)6-11(13)14/h2-5,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-(4-methoxy-1H-indol-2-yl)acetic acid?
2-(4-methoxy-1H-indol-2-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1H-indol-2-yl)acetic acid is sourced from PubChem (CID 28806414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).