2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol

C24H29NO3 — CID 87159932

IUPAC2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol
SMILESCOOCc1ccc2c(C3CCCCC3)c(-c3ccccc3CCO)[nH]c2c1
InChIInChI=1S/C24H29NO3/c1-27-28-16-17-11-12-21-22(15-17)25-24(23(21)19-8-3-2-4-9-19)20-10-6-5-7-18(20)13-14-26/h5-7,10-12,15,19,25-26H,2-4,8-9,13-14,16H2,1H3
InChIKeyVHCJONBVFNODTH-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.50
Rot. Bonds7

About 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol

2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol (PubChem CID 87159932) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol
PubChem CID87159932
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol
SMILESCOOCc1ccc2c(C3CCCCC3)c(-c3ccccc3CCO)[nH]c2c1
InChIInChI=1S/C24H29NO3/c1-27-28-16-17-11-12-21-22(15-17)25-24(23(21)19-8-3-2-4-9-19)20-10-6-5-7-18(20)13-14-26/h5-7,10-12,15,19,25-26H,2-4,8-9,13-14,16H2,1H3
InChIKeyVHCJONBVFNODTH-UHFFFAOYSA-N
XLogP5.50
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol?
The IUPAC name of 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol (CID 87159932) is 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol?
The canonical SMILES for 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol is COOCc1ccc2c(C3CCCCC3)c(-c3ccccc3CCO)[nH]c2c1.
What is the InChIKey of 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol?
The InChIKey is VHCJONBVFNODTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-27-28-16-17-11-12-21-22(15-17)25-24(23(21)19-8-3-2-4-9-19)20-10-6-5-7-18(20)13-14-26/h5-7,10-12,15,19,25-26H,2-4,8-9,13-14,16H2,1H3.
What are the key properties of 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol?
2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol has a molecular weight of 379.50 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]phenyl]ethanol is sourced from PubChem (CID 87159932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).