3-(1H-indol-5-yl)-2-methylpentan-3-ol

C14H19NO — CID 81444815

IUPAC3-(1H-indol-5-yl)-2-methylpentan-3-ol
SMILESCCC(O)(c1ccc2[nH]ccc2c1)C(C)C
InChIInChI=1S/C14H19NO/c1-4-14(16,10(2)3)12-5-6-13-11(9-12)7-8-15-13/h5-10,15-16H,4H2,1-3H3
InChIKeyFDCMREURPOESTG-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.42
Rot. Bonds3

About 3-(1H-indol-5-yl)-2-methylpentan-3-ol

3-(1H-indol-5-yl)-2-methylpentan-3-ol (PubChem CID 81444815) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-2-methylpentan-3-ol
PubChem CID81444815
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(1H-indol-5-yl)-2-methylpentan-3-ol
SMILESCCC(O)(c1ccc2[nH]ccc2c1)C(C)C
InChIInChI=1S/C14H19NO/c1-4-14(16,10(2)3)12-5-6-13-11(9-12)7-8-15-13/h5-10,15-16H,4H2,1-3H3
InChIKeyFDCMREURPOESTG-UHFFFAOYSA-N
XLogP3.42
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-2-methylpentan-3-ol?
The IUPAC name of 3-(1H-indol-5-yl)-2-methylpentan-3-ol (CID 81444815) is 3-(1H-indol-5-yl)-2-methylpentan-3-ol.
What is the SMILES notation for 3-(1H-indol-5-yl)-2-methylpentan-3-ol?
The canonical SMILES for 3-(1H-indol-5-yl)-2-methylpentan-3-ol is CCC(O)(c1ccc2[nH]ccc2c1)C(C)C.
What is the InChIKey of 3-(1H-indol-5-yl)-2-methylpentan-3-ol?
The InChIKey is FDCMREURPOESTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-14(16,10(2)3)12-5-6-13-11(9-12)7-8-15-13/h5-10,15-16H,4H2,1-3H3.
What are the key properties of 3-(1H-indol-5-yl)-2-methylpentan-3-ol?
3-(1H-indol-5-yl)-2-methylpentan-3-ol has a molecular weight of 217.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-2-methylpentan-3-ol is sourced from PubChem (CID 81444815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).