1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol

C12H17NO — CID 117204069

IUPAC1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol
SMILESCC(O)c1cccc2c1N(C)CC2C
InChIInChI=1S/C12H17NO/c1-8-7-13(3)12-10(8)5-4-6-11(12)9(2)14/h4-6,8-9,14H,7H2,1-3H3
InChIKeyWKVCEUPSCZRMMN-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.29
Rot. Bonds1

About 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol

1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol (PubChem CID 117204069) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol
PubChem CID117204069
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol
SMILESCC(O)c1cccc2c1N(C)CC2C
InChIInChI=1S/C12H17NO/c1-8-7-13(3)12-10(8)5-4-6-11(12)9(2)14/h4-6,8-9,14H,7H2,1-3H3
InChIKeyWKVCEUPSCZRMMN-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol?
The IUPAC name of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol (CID 117204069) is 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol.
What is the SMILES notation for 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol?
The canonical SMILES for 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol is CC(O)c1cccc2c1N(C)CC2C.
What is the InChIKey of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol?
The InChIKey is WKVCEUPSCZRMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-7-13(3)12-10(8)5-4-6-11(12)9(2)14/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol?
1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol has a molecular weight of 191.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol is sourced from PubChem (CID 117204069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).