2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid

C17H15NO3 — CID 3597167

IUPAC2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CC(=O)O)c2c1
InChIInChI=1S/C17H15NO3/c1-21-12-7-8-15-13(9-12)14(10-16(19)20)17(18-15)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyCKFUWOJIWRPNKD-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.47
Rot. Bonds4

About 2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid

2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid (PubChem CID 3597167) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
PubChem CID3597167
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CC(=O)O)c2c1
InChIInChI=1S/C17H15NO3/c1-21-12-7-8-15-13(9-12)14(10-16(19)20)17(18-15)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyCKFUWOJIWRPNKD-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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Related Compounds

2-[2-(3-bromophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4037576
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine
CID 159500765
2-[2-(2,5-dimethylphenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 3579332
2-[2-(4-methylsulfanylphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
CID 3537629
2-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997
2-[2-(2,4-difluorophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4667197
3-[2-(4-bromophenyl)-5-methoxy-1H-indol-3-yl]propanoic acid
CID 165440970
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 10042516
CID 53376627
CID 53376627
2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4265168

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid (CID 3597167) is 2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid is COc1ccc2[nH]c(-c3ccccc3)c(CC(=O)O)c2c1.
What is the InChIKey of 2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid?
The InChIKey is CKFUWOJIWRPNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-12-7-8-15-13(9-12)14(10-16(19)20)17(18-15)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20).
What are the key properties of 2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid?
2-(5-methoxy-2-phenyl-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-methoxy-2-phenyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 3597167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).