4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid

C24H26FNO3 — CID 166779776

IUPAC4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1c(C2CCC(C(=O)O)CC2)c2cc(O)ccc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H26FNO3/c1-14(2)23-22(15-3-5-16(6-4-15)24(28)29)20-13-19(27)11-12-21(20)26(23)18-9-7-17(25)8-10-18/h7-16,27H,3-6H2,1-2H3,(H,28,29)
InChIKeyMHHVFGKHZWSUKN-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.96
Rot. Bonds4

About 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid

4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 166779776) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid
PubChem CID166779776
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1c(C2CCC(C(=O)O)CC2)c2cc(O)ccc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H26FNO3/c1-14(2)23-22(15-3-5-16(6-4-15)24(28)29)20-13-19(27)11-12-21(20)26(23)18-9-7-17(25)8-10-18/h7-16,27H,3-6H2,1-2H3,(H,28,29)
InChIKeyMHHVFGKHZWSUKN-UHFFFAOYSA-N
XLogP5.96
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid (CID 166779776) is 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid is CC(C)c1c(C2CCC(C(=O)O)CC2)c2cc(O)ccc2n1-c1ccc(F)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid?
The InChIKey is MHHVFGKHZWSUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3/c1-14(2)23-22(15-3-5-16(6-4-15)24(28)29)20-13-19(27)11-12-21(20)26(23)18-9-7-17(25)8-10-18/h7-16,27H,3-6H2,1-2H3,(H,28,29).
What are the key properties of 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid?
4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 395.47 g/mol, XLogP of 5.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 166779776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).