6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid

C15H11NO3 — CID 39232374

IUPAC6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-c3ccc(O)cc3)cc2[nH]1
InChIInChI=1S/C15H11NO3/c17-12-5-3-9(4-6-12)10-1-2-11-8-14(15(18)19)16-13(11)7-10/h1-8,16-17H,(H,18,19)
InChIKeyJZGSFSSFVMRXPZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.24
Rot. Bonds2

About 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid

6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid (PubChem CID 39232374) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid
PubChem CID39232374
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-c3ccc(O)cc3)cc2[nH]1
InChIInChI=1S/C15H11NO3/c17-12-5-3-9(4-6-12)10-1-2-11-8-14(15(18)19)16-13(11)7-10/h1-8,16-17H,(H,18,19)
InChIKeyJZGSFSSFVMRXPZ-UHFFFAOYSA-N
XLogP3.24
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-tert-butylphenyl)-1H-indole-2-carboxylic acid;ethane;propane
CID 142426033
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid
CID 168510074
6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
6-sulfamoyl-1H-indole-2-carboxylic acid
CID 66925507
6-cyclopropyl-1H-indole-2-carboxylic acid
CID 79983056
6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
CID 17389553
6-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-2-carboxylic acid
CID 168510073
ethane;1H-indole-2-carboxylic acid
CID 91052830
6-(2-carboxyethenyl)-1H-indole-2-carboxylic acid
CID 169460952
5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid
CID 141128884
5-hydroxy-6-methyl-1H-indole-2-carboxylic acid
CID 83817997
6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 132843535

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid (CID 39232374) is 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid is O=C(O)c1cc2ccc(-c3ccc(O)cc3)cc2[nH]1.
What is the InChIKey of 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid?
The InChIKey is JZGSFSSFVMRXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-12-5-3-9(4-6-12)10-1-2-11-8-14(15(18)19)16-13(11)7-10/h1-8,16-17H,(H,18,19).
What are the key properties of 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid?
6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 39232374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).