4-propan-2-yloxy-1H-indole-2-carboxylic acid

C12H13NO3 — CID 66841602

IUPAC4-propan-2-yloxy-1H-indole-2-carboxylic acid
SMILESCC(C)Oc1cccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C12H13NO3/c1-7(2)16-11-5-3-4-9-8(11)6-10(13-9)12(14)15/h3-7,13H,1-2H3,(H,14,15)
InChIKeyOTQZECNHZAOSES-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.65
Rot. Bonds3

About 4-propan-2-yloxy-1H-indole-2-carboxylic acid

4-propan-2-yloxy-1H-indole-2-carboxylic acid (PubChem CID 66841602) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-propan-2-yloxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yloxy-1H-indole-2-carboxylic acid
PubChem CID66841602
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-propan-2-yloxy-1H-indole-2-carboxylic acid
SMILESCC(C)Oc1cccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C12H13NO3/c1-7(2)16-11-5-3-4-9-8(11)6-10(13-9)12(14)15/h3-7,13H,1-2H3,(H,14,15)
InChIKeyOTQZECNHZAOSES-UHFFFAOYSA-N
XLogP2.65
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenoxy-1H-indole-2-carboxylic acid
CID 59600239
6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine
CID 175135260
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid
CID 66841435
4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 172696431
4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
CID 68711544
4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide
CID 38427829
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid
CID 172763054
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 124861217
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
4-[2-hydroxy-3-(2-methylsulfanylbutan-2-ylamino)propoxy]-1H-indole-2-carboxylic acid
CID 23335494
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4-propan-2-yloxy-1H-indole-2-carboxylic acid (CID 66841602) is 4-propan-2-yloxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-propan-2-yloxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-propan-2-yloxy-1H-indole-2-carboxylic acid is CC(C)Oc1cccc2[nH]c(C(=O)O)cc12.
What is the InChIKey of 4-propan-2-yloxy-1H-indole-2-carboxylic acid?
The InChIKey is OTQZECNHZAOSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7(2)16-11-5-3-4-9-8(11)6-10(13-9)12(14)15/h3-7,13H,1-2H3,(H,14,15).
What are the key properties of 4-propan-2-yloxy-1H-indole-2-carboxylic acid?
4-propan-2-yloxy-1H-indole-2-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 66841602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).