2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid

C17H15NO3 — CID 95484423

IUPAC2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCOc1cccc(-c2ccc3[nH]cc(CC(=O)O)c3c2)c1
InChIInChI=1S/C17H15NO3/c1-21-14-4-2-3-11(7-14)12-5-6-16-15(8-12)13(10-18-16)9-17(19)20/h2-8,10,18H,9H2,1H3,(H,19,20)
InChIKeyQVAIVXZPAOBKHG-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.47
Rot. Bonds4

About 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid

2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 95484423) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid
PubChem CID95484423
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCOc1cccc(-c2ccc3[nH]cc(CC(=O)O)c3c2)c1
InChIInChI=1S/C17H15NO3/c1-21-14-4-2-3-11(7-14)12-5-6-16-15(8-12)13(10-18-16)9-17(19)20/h2-8,10,18H,9H2,1H3,(H,19,20)
InChIKeyQVAIVXZPAOBKHG-UHFFFAOYSA-N
XLogP3.47
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid (CID 95484423) is 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid is COc1cccc(-c2ccc3[nH]cc(CC(=O)O)c3c2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is QVAIVXZPAOBKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-14-4-2-3-11(7-14)12-5-6-16-15(8-12)13(10-18-16)9-17(19)20/h2-8,10,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid?
2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 95484423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).