1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol

C14H21NO — CID 117203210

IUPAC1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
SMILESCC(O)c1ccc2c(c1)CC(C)N2C(C)C
InChIInChI=1S/C14H21NO/c1-9(2)15-10(3)7-13-8-12(11(4)16)5-6-14(13)15/h5-6,8-11,16H,7H2,1-4H3
InChIKeyFOAICHRIQANJKU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds2

About 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol

1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol (PubChem CID 117203210) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
PubChem CID117203210
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
SMILESCC(O)c1ccc2c(c1)CC(C)N2C(C)C
InChIInChI=1S/C14H21NO/c1-9(2)15-10(3)7-13-8-12(11(4)16)5-6-14(13)15/h5-6,8-11,16H,7H2,1-4H3
InChIKeyFOAICHRIQANJKU-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
The IUPAC name of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol (CID 117203210) is 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol.
What is the SMILES notation for 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
The canonical SMILES for 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol is CC(O)c1ccc2c(c1)CC(C)N2C(C)C.
What is the InChIKey of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
The InChIKey is FOAICHRIQANJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)15-10(3)7-13-8-12(11(4)16)5-6-14(13)15/h5-6,8-11,16H,7H2,1-4H3.
What are the key properties of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol is sourced from PubChem (CID 117203210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).