2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid

C15H19NO4 — CID 115073168

IUPAC2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
SMILESCOc1cccc2c(C(O)C(=O)O)c(C)n(C(C)C)c12
InChIInChI=1S/C15H19NO4/c1-8(2)16-9(3)12(14(17)15(18)19)10-6-5-7-11(20-4)13(10)16/h5-8,14,17H,1-4H3,(H,18,19)
InChIKeyFYAKAIWNILWMGI-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.66
Rot. Bonds4

About 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid

2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid (PubChem CID 115073168) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
PubChem CID115073168
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
SMILESCOc1cccc2c(C(O)C(=O)O)c(C)n(C(C)C)c12
InChIInChI=1S/C15H19NO4/c1-8(2)16-9(3)12(14(17)15(18)19)10-6-5-7-11(20-4)13(10)16/h5-8,14,17H,1-4H3,(H,18,19)
InChIKeyFYAKAIWNILWMGI-UHFFFAOYSA-N
XLogP2.66
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid (CID 115073168) is 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid is COc1cccc2c(C(O)C(=O)O)c(C)n(C(C)C)c12.
What is the InChIKey of 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid?
The InChIKey is FYAKAIWNILWMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-8(2)16-9(3)12(14(17)15(18)19)10-6-5-7-11(20-4)13(10)16/h5-8,14,17H,1-4H3,(H,18,19).
What are the key properties of 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid?
2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid is sourced from PubChem (CID 115073168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).