[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol

C15H20ClNO — CID 82750860

IUPAC[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol
SMILESOCc1c(Cl)cccc1N1CCC2CCCCC21
InChIInChI=1S/C15H20ClNO/c16-13-5-3-7-15(12(13)10-18)17-9-8-11-4-1-2-6-14(11)17/h3,5,7,11,14,18H,1-2,4,6,8-10H2
InChIKeyWSCDRADBESOHEI-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.60
Rot. Bonds2

About [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol

[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol (PubChem CID 82750860) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol
PubChem CID82750860
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol
SMILESOCc1c(Cl)cccc1N1CCC2CCCCC21
InChIInChI=1S/C15H20ClNO/c16-13-5-3-7-15(12(13)10-18)17-9-8-11-4-1-2-6-14(11)17/h3,5,7,11,14,18H,1-2,4,6,8-10H2
InChIKeyWSCDRADBESOHEI-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine
CID 43628404
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methyl]propan-2-amine
CID 82752937
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chlorophenyl]methanol
CID 43620553
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine
CID 63782406
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]methyl]ethanamine
CID 102727329
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]-N-methylmethanamine
CID 102727313
[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol
CID 60974509
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanol
CID 62331045
[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
CID 43586235
(4aR,8aR)-1-(3-chloro-2-nitrophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727517
[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol
CID 28945727
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol?
The IUPAC name of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol (CID 82750860) is [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol.
What is the SMILES notation for [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol?
The canonical SMILES for [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol is OCc1c(Cl)cccc1N1CCC2CCCCC21.
What is the InChIKey of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol?
The InChIKey is WSCDRADBESOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-5-3-7-15(12(13)10-18)17-9-8-11-4-1-2-6-14(11)17/h3,5,7,11,14,18H,1-2,4,6,8-10H2.
What are the key properties of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol?
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol has a molecular weight of 265.78 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol is sourced from PubChem (CID 82750860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).