2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid

C14H16ClNO3 — CID 115072918

IUPAC2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
SMILESCc1c(C(O)C(=O)O)c2c(Cl)cccc2n1C(C)C
InChIInChI=1S/C14H16ClNO3/c1-7(2)16-8(3)11(13(17)14(18)19)12-9(15)5-4-6-10(12)16/h4-7,13,17H,1-3H3,(H,18,19)
InChIKeyLXYDJUSBGIGYTB-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid

2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid (PubChem CID 115072918) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
PubChem CID115072918
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
SMILESCc1c(C(O)C(=O)O)c2c(Cl)cccc2n1C(C)C
InChIInChI=1S/C14H16ClNO3/c1-7(2)16-8(3)11(13(17)14(18)19)12-9(15)5-4-6-10(12)16/h4-7,13,17H,1-3H3,(H,18,19)
InChIKeyLXYDJUSBGIGYTB-UHFFFAOYSA-N
XLogP3.30
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072908
2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
CID 115072913
2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072997
2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
CID 115073168
5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one
CID 13064615
2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117416079
2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
CID 117108587
1-(4-chloro-1-propan-2-ylindol-3-yl)ethanone
CID 117119721
2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117119738
5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one
CID 170649649
2-[2-chloro-6-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633815
2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid
CID 117279696

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid (CID 115072918) is 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid is Cc1c(C(O)C(=O)O)c2c(Cl)cccc2n1C(C)C.
What is the InChIKey of 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
The InChIKey is LXYDJUSBGIGYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-7(2)16-8(3)11(13(17)14(18)19)12-9(15)5-4-6-10(12)16/h4-7,13,17H,1-3H3,(H,18,19).
What are the key properties of 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid has a molecular weight of 281.74 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115072918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).