2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid

C18H15NO5 — CID 70540384

IUPAC2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)COc1ccccc1-c1[nH]c2ccccc2c1CC(=O)O
InChIInChI=1S/C18H15NO5/c20-16(21)9-13-11-5-1-3-7-14(11)19-18(13)12-6-2-4-8-15(12)24-10-17(22)23/h1-8,19H,9-10H2,(H,20,21)(H,22,23)
InChIKeyOLNLYXWCXINOAI-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.93
Rot. Bonds6

About 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid

2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid (PubChem CID 70540384) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid
PubChem CID70540384
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)COc1ccccc1-c1[nH]c2ccccc2c1CC(=O)O
InChIInChI=1S/C18H15NO5/c20-16(21)9-13-11-5-1-3-7-14(11)19-18(13)12-6-2-4-8-15(12)24-10-17(22)23/h1-8,19H,9-10H2,(H,20,21)(H,22,23)
InChIKeyOLNLYXWCXINOAI-UHFFFAOYSA-N
XLogP2.93
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4004569
2-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997
2-(2-fluoro-1H-indol-3-yl)acetic acid
CID 22642493
2-(2-iodo-1H-indol-3-yl)acetic acid
CID 22642492
2-[2-(2-methylpropanoyl)-1H-indol-3-yl]acetic acid
CID 54857086
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
2-[5-chloro-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3275365
2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 4213558
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine
CID 161400298
3-(carboxymethyl)-2-naphthalen-1-yl-1H-indole-5-carboxylic acid
CID 4683567
2-[2-(3-bromophenyl)-1H-indol-3-yl]acetic acid
CID 3506906

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid (CID 70540384) is 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid is O=C(O)COc1ccccc1-c1[nH]c2ccccc2c1CC(=O)O.
What is the InChIKey of 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid?
The InChIKey is OLNLYXWCXINOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c20-16(21)9-13-11-5-1-3-7-14(11)19-18(13)12-6-2-4-8-15(12)24-10-17(22)23/h1-8,19H,9-10H2,(H,20,21)(H,22,23).
What are the key properties of 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid?
2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid has a molecular weight of 325.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 70540384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).