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

C13H15NO3 — CID 117197220

IUPAC2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
SMILESCC(C)n1c(CC(=O)O)cc2cccc(O)c21
InChIInChI=1S/C13H15NO3/c1-8(2)14-10(7-12(16)17)6-9-4-3-5-11(15)13(9)14/h3-6,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyBHZVBAQXRKRLAC-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.55
Rot. Bonds3

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

2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid (PubChem CID 117197220) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
PubChem CID117197220
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
SMILESCC(C)n1c(CC(=O)O)cc2cccc(O)c21
InChIInChI=1S/C13H15NO3/c1-8(2)14-10(7-12(16)17)6-9-4-3-5-11(15)13(9)14/h3-6,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyBHZVBAQXRKRLAC-UHFFFAOYSA-N
XLogP2.55
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197178
2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 117184356
2-(7-ethyl-1-methylindol-2-yl)acetic acid
CID 83859943
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197186
2-(5-chloro-1-propan-2-ylindol-2-yl)acetic acid
CID 117121626
1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117197151
7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117184313
2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 115006203
1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one
CID 117196062
2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid
CID 115072472

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid (CID 117197220) is 2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid is CC(C)n1c(CC(=O)O)cc2cccc(O)c21.
What is the InChIKey of 2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid?
The InChIKey is BHZVBAQXRKRLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(2)14-10(7-12(16)17)6-9-4-3-5-11(15)13(9)14/h3-6,8,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid?
2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid is sourced from PubChem (CID 117197220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).