2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid

C12H12FNO3 — CID 58304033

IUPAC2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid
SMILESCOc1c(F)ccc2c1c(CC(=O)O)cn2C
InChIInChI=1S/C12H12FNO3/c1-14-6-7(5-10(15)16)11-9(14)4-3-8(13)12(11)17-2/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyPKGOAWOLTZWGDU-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.95
Rot. Bonds3

About 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid

2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid (PubChem CID 58304033) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid
PubChem CID58304033
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid
SMILESCOc1c(F)ccc2c1c(CC(=O)O)cn2C
InChIInChI=1S/C12H12FNO3/c1-14-6-7(5-10(15)16)11-9(14)4-3-8(13)12(11)17-2/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyPKGOAWOLTZWGDU-UHFFFAOYSA-N
XLogP1.95
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid (CID 58304033) is 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid is COc1c(F)ccc2c1c(CC(=O)O)cn2C.
What is the InChIKey of 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid?
The InChIKey is PKGOAWOLTZWGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-14-6-7(5-10(15)16)11-9(14)4-3-8(13)12(11)17-2/h3-4,6H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid?
2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid has a molecular weight of 237.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid is sourced from PubChem (CID 58304033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).