2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol

C14H17NO — CID 50923194

IUPAC2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol
SMILESC=CCn1c(C)c(CCO)c2ccccc21
InChIInChI=1S/C14H17NO/c1-3-9-15-11(2)12(8-10-16)13-6-4-5-7-14(13)15/h3-7,16H,1,8-10H2,2H3
InChIKeyOOLAYWCHGWBTNW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol

2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol (PubChem CID 50923194) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol
PubChem CID50923194
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol
SMILESC=CCn1c(C)c(CCO)c2ccccc21
InChIInChI=1S/C14H17NO/c1-3-9-15-11(2)12(8-10-16)13-6-4-5-7-14(13)15/h3-7,16H,1,8-10H2,2H3
InChIKeyOOLAYWCHGWBTNW-UHFFFAOYSA-N
XLogP2.67
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol?
The IUPAC name of 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol (CID 50923194) is 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol is C=CCn1c(C)c(CCO)c2ccccc21.
What is the InChIKey of 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol?
The InChIKey is OOLAYWCHGWBTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-9-15-11(2)12(8-10-16)13-6-4-5-7-14(13)15/h3-7,16H,1,8-10H2,2H3.
What are the key properties of 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol?
2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol has a molecular weight of 215.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-prop-2-enylindol-3-yl)ethanol is sourced from PubChem (CID 50923194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).