1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one

C14H17NO2 — CID 117196062

IUPAC1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2ccc(O)cc2n1C(C)C
InChIInChI=1S/C14H17NO2/c1-9(2)15-12(6-10(3)16)7-11-4-5-13(17)8-14(11)15/h4-5,7-9,17H,6H2,1-3H3
InChIKeyZTVLTNLQXYFSBP-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.06
Rot. Bonds3

About 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one

1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one (PubChem CID 117196062) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one
PubChem CID117196062
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2ccc(O)cc2n1C(C)C
InChIInChI=1S/C14H17NO2/c1-9(2)15-12(6-10(3)16)7-11-4-5-13(17)8-14(11)15/h4-5,7-9,17H,6H2,1-3H3
InChIKeyZTVLTNLQXYFSBP-UHFFFAOYSA-N
XLogP3.06
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one?
The IUPAC name of 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one (CID 117196062) is 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one.
What is the SMILES notation for 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one?
The canonical SMILES for 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one is CC(=O)Cc1cc2ccc(O)cc2n1C(C)C.
What is the InChIKey of 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one?
The InChIKey is ZTVLTNLQXYFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)15-12(6-10(3)16)7-11-4-5-13(17)8-14(11)15/h4-5,7-9,17H,6H2,1-3H3.
What are the key properties of 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one?
1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one has a molecular weight of 231.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one is sourced from PubChem (CID 117196062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).