1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid

C21H21NO3 — CID 11209864

IUPAC1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)cc(-c1ccc(O)cc1)n2C1CCCCC1
InChIInChI=1S/C21H21NO3/c23-18-9-6-14(7-10-18)20-13-16-12-15(21(24)25)8-11-19(16)22(20)17-4-2-1-3-5-17/h6-13,17,23H,1-5H2,(H,24,25)
InChIKeyTZVYSDSTHJAION-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.22
Rot. Bonds3

About 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid

1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid (PubChem CID 11209864) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid
PubChem CID11209864
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)cc(-c1ccc(O)cc1)n2C1CCCCC1
InChIInChI=1S/C21H21NO3/c23-18-9-6-14(7-10-18)20-13-16-12-15(21(24)25)8-11-19(16)22(20)17-4-2-1-3-5-17/h6-13,17,23H,1-5H2,(H,24,25)
InChIKeyTZVYSDSTHJAION-UHFFFAOYSA-N
XLogP5.22
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid (CID 11209864) is 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid is O=C(O)c1ccc2c(c1)cc(-c1ccc(O)cc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid?
The InChIKey is TZVYSDSTHJAION-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-18-9-6-14(7-10-18)20-13-16-12-15(21(24)25)8-11-19(16)22(20)17-4-2-1-3-5-17/h6-13,17,23H,1-5H2,(H,24,25).
What are the key properties of 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid?
1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-hydroxyphenyl)indole-5-carboxylic acid is sourced from PubChem (CID 11209864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).