5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol

C16H23NO — CID 123263101

IUPAC5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol
SMILESCc1cc(C)c2[nH]cc(CCCC(C)O)c2c1C
InChIInChI=1S/C16H23NO/c1-10-8-11(2)16-15(13(10)4)14(9-17-16)7-5-6-12(3)18/h8-9,12,17-18H,5-7H2,1-4H3
InChIKeyGJGAFLNXASYXHQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.80
Rot. Bonds4

About 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol

5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol (PubChem CID 123263101) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol
PubChem CID123263101
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol
SMILESCc1cc(C)c2[nH]cc(CCCC(C)O)c2c1C
InChIInChI=1S/C16H23NO/c1-10-8-11(2)16-15(13(10)4)14(9-17-16)7-5-6-12(3)18/h8-9,12,17-18H,5-7H2,1-4H3
InChIKeyGJGAFLNXASYXHQ-UHFFFAOYSA-N
XLogP3.80
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol?
The IUPAC name of 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol (CID 123263101) is 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol.
What is the SMILES notation for 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol?
The canonical SMILES for 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol is Cc1cc(C)c2[nH]cc(CCCC(C)O)c2c1C.
What is the InChIKey of 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol?
The InChIKey is GJGAFLNXASYXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-8-11(2)16-15(13(10)4)14(9-17-16)7-5-6-12(3)18/h8-9,12,17-18H,5-7H2,1-4H3.
What are the key properties of 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol?
5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol is sourced from PubChem (CID 123263101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).