1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol

C16H23NO — CID 117118466

IUPAC1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol
SMILESCC(O)c1ccc2c(c1)CCN2C1CCCCC1
InChIInChI=1S/C16H23NO/c1-12(18)13-7-8-16-14(11-13)9-10-17(16)15-5-3-2-4-6-15/h7-8,11-12,15,18H,2-6,9-10H2,1H3
InChIKeyWNGKRMQWZAJHAK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.44
Rot. Bonds2

About 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol

1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol (PubChem CID 117118466) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol
PubChem CID117118466
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol
SMILESCC(O)c1ccc2c(c1)CCN2C1CCCCC1
InChIInChI=1S/C16H23NO/c1-12(18)13-7-8-16-14(11-13)9-10-17(16)15-5-3-2-4-6-15/h7-8,11-12,15,18H,2-6,9-10H2,1H3
InChIKeyWNGKRMQWZAJHAK-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclohexyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 117118471
2-(1-cyclopentyl-2,3-dihydroindol-6-yl)propan-1-ol
CID 115115373
1-cyclohexyl-5-ethenyl-2,3-dihydroindole
CID 66772198
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 115115348
(1-cyclopentyl-2,3-dihydroindol-5-yl)methanamine
CID 115115353
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)ethanamine
CID 115115356
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
CID 22037899
(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine
CID 115115080
1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 82176086
(1S)-1-[3-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79921453
4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one
CID 84615366

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol?
The IUPAC name of 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol (CID 117118466) is 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol.
What is the SMILES notation for 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol?
The canonical SMILES for 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol is CC(O)c1ccc2c(c1)CCN2C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol?
The InChIKey is WNGKRMQWZAJHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(18)13-7-8-16-14(11-13)9-10-17(16)15-5-3-2-4-6-15/h7-8,11-12,15,18H,2-6,9-10H2,1H3.
What are the key properties of 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol?
1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol has a molecular weight of 245.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol is sourced from PubChem (CID 117118466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).