[1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol

C19H21NO2 — CID 153303422

IUPAC[1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol
SMILESCC(C)Cn1c(-c2ccccc2)cc2ccc(OCO)cc21
InChIInChI=1S/C19H21NO2/c1-14(2)12-20-18(15-6-4-3-5-7-15)10-16-8-9-17(22-13-21)11-19(16)20/h3-11,14,21H,12-13H2,1-2H3
InChIKeyNXZKNNKNUWSLAF-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.29
Rot. Bonds5

About [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol

[1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol (PubChem CID 153303422) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol
PubChem CID153303422
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol
SMILESCC(C)Cn1c(-c2ccccc2)cc2ccc(OCO)cc21
InChIInChI=1S/C19H21NO2/c1-14(2)12-20-18(15-6-4-3-5-7-15)10-16-8-9-17(22-13-21)11-19(16)20/h3-11,14,21H,12-13H2,1-2H3
InChIKeyNXZKNNKNUWSLAF-UHFFFAOYSA-N
XLogP4.29
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol?
The IUPAC name of [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol (CID 153303422) is [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol.
What is the SMILES notation for [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol?
The canonical SMILES for [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol is CC(C)Cn1c(-c2ccccc2)cc2ccc(OCO)cc21.
What is the InChIKey of [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol?
The InChIKey is NXZKNNKNUWSLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(2)12-20-18(15-6-4-3-5-7-15)10-16-8-9-17(22-13-21)11-19(16)20/h3-11,14,21H,12-13H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol?
[1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol has a molecular weight of 295.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-2-phenylindol-6-yl]oxymethanol is sourced from PubChem (CID 153303422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).