7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid

C22H17NO3 — CID 171663125

IUPAC7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(-c3cccc(OCc4ccccc4)c3)c2[nH]1
InChIInChI=1S/C22H17NO3/c24-22(25)20-13-17-9-5-11-19(21(17)23-20)16-8-4-10-18(12-16)26-14-15-6-2-1-3-7-15/h1-13,23H,14H2,(H,24,25)
InChIKeyXVQXSAHWIGQQHK-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.11
Rot. Bonds5

About 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid

7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid (PubChem CID 171663125) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid
PubChem CID171663125
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(-c3cccc(OCc4ccccc4)c3)c2[nH]1
InChIInChI=1S/C22H17NO3/c24-22(25)20-13-17-9-5-11-19(21(17)23-20)16-8-4-10-18(12-16)26-14-15-6-2-1-3-7-15/h1-13,23H,14H2,(H,24,25)
InChIKeyXVQXSAHWIGQQHK-UHFFFAOYSA-N
XLogP5.11
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
CID 169084287
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
2-amino-6-oxo-4-[2-(3-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406099
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 171390969
3-[3,5-bis(phenylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 4017523
2-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)benzoic acid
CID 172648598
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
2-[5-phenyl-2-(3-phenylmethoxyphenyl)phenyl]ethanol
CID 122540105
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407

Frequently Asked Questions

What is the IUPAC name of 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid (CID 171663125) is 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid is O=C(O)c1cc2cccc(-c3cccc(OCc4ccccc4)c3)c2[nH]1.
What is the InChIKey of 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid?
The InChIKey is XVQXSAHWIGQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c24-22(25)20-13-17-9-5-11-19(21(17)23-20)16-8-4-10-18(12-16)26-14-15-6-2-1-3-7-15/h1-13,23H,14H2,(H,24,25).
What are the key properties of 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid?
7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 171663125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).