2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid

C14H17NO4 — CID 115072156

IUPAC2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
SMILESCOc1ccc2c(c1)cc(C(O)C(=O)O)n2C(C)C
InChIInChI=1S/C14H17NO4/c1-8(2)15-11-5-4-10(19-3)6-9(11)7-12(15)13(16)14(17)18/h4-8,13,16H,1-3H3,(H,17,18)
InChIKeyAHEFCVRIJXIJAQ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.35
Rot. Bonds4

About 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid

2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid (PubChem CID 115072156) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
PubChem CID115072156
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
SMILESCOc1ccc2c(c1)cc(C(O)C(=O)O)n2C(C)C
InChIInChI=1S/C14H17NO4/c1-8(2)15-11-5-4-10(19-3)6-9(11)7-12(15)13(16)14(17)18/h4-8,13,16H,1-3H3,(H,17,18)
InChIKeyAHEFCVRIJXIJAQ-UHFFFAOYSA-N
XLogP2.35
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid (CID 115072156) is 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid is COc1ccc2c(c1)cc(C(O)C(=O)O)n2C(C)C.
What is the InChIKey of 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid?
The InChIKey is AHEFCVRIJXIJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8(2)15-11-5-4-10(19-3)6-9(11)7-12(15)13(16)14(17)18/h4-8,13,16H,1-3H3,(H,17,18).
What are the key properties of 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid?
2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid has a molecular weight of 263.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid is sourced from PubChem (CID 115072156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).