2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid

C12H13NO4 — CID 117341836

IUPAC2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid
SMILESCOc1c(C(O)C(=O)O)ccc2[nH]cc(C)c12
InChIInChI=1S/C12H13NO4/c1-6-5-13-8-4-3-7(10(14)12(15)16)11(17-2)9(6)8/h3-5,10,13-14H,1-2H3,(H,15,16)
InChIKeyJVKDHTXYMKDORL-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.60
Rot. Bonds3

About 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid

2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid (PubChem CID 117341836) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid
PubChem CID117341836
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid
SMILESCOc1c(C(O)C(=O)O)ccc2[nH]cc(C)c12
InChIInChI=1S/C12H13NO4/c1-6-5-13-8-4-3-7(10(14)12(15)16)11(17-2)9(6)8/h3-5,10,13-14H,1-2H3,(H,15,16)
InChIKeyJVKDHTXYMKDORL-UHFFFAOYSA-N
XLogP1.60
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-3-methyl-1H-indol-5-yl)propanoic acid
CID 96598099
4-(4-methoxy-3-methyl-1H-indol-5-yl)butanoic acid
CID 117370338
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
CID 131561654
2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117362007
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428843

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid (CID 117341836) is 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid is COc1c(C(O)C(=O)O)ccc2[nH]cc(C)c12.
What is the InChIKey of 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid?
The InChIKey is JVKDHTXYMKDORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-6-5-13-8-4-3-7(10(14)12(15)16)11(17-2)9(6)8/h3-5,10,13-14H,1-2H3,(H,15,16).
What are the key properties of 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid?
2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid has a molecular weight of 235.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methoxy-3-methyl-1H-indol-5-yl)acetic acid is sourced from PubChem (CID 117341836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).