6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol

C14H11NO — CID 13383476

IUPAC6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol
SMILESOCC#CC#CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H11NO/c16-10-6-2-1-3-7-12-11-15-14-9-5-4-8-13(12)14/h4-5,8-9,11,15-16H,7,10H2
InChIKeyWCRZQBFFHSVCIY-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.71
Rot. Bonds1

About 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol

6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol (PubChem CID 13383476) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol.

Molecular Properties

Compound Name6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol
PubChem CID13383476
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol
SMILESOCC#CC#CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H11NO/c16-10-6-2-1-3-7-12-11-15-14-9-5-4-8-13(12)14/h4-5,8-9,11,15-16H,7,10H2
InChIKeyWCRZQBFFHSVCIY-UHFFFAOYSA-N
XLogP1.71
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1H-indol-3-ylmethylphosphane;hydrochloride
CID 173452856
(1H-indol-3-ylmethylamino)methanol
CID 115228988
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
2-(1H-indol-3-ylmethyl)prop-2-enenitrile
CID 101351903
1-(1H-indol-3-yl)but-3-yn-2-one
CID 175799304
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
3-ethyl-1H-indole;methanamine
CID 142222050
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol?
The IUPAC name of 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol (CID 13383476) is 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol.
What is the SMILES notation for 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol?
The canonical SMILES for 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol is OCC#CC#CCc1c[nH]c2ccccc12.
What is the InChIKey of 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol?
The InChIKey is WCRZQBFFHSVCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-10-6-2-1-3-7-12-11-15-14-9-5-4-8-13(12)14/h4-5,8-9,11,15-16H,7,10H2.
What are the key properties of 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol?
6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol has a molecular weight of 209.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-3-yl)hexa-2,4-diyn-1-ol is sourced from PubChem (CID 13383476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).