3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol

C18H27NO — CID 62613754

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol
SMILESOC(CCN1CCCC2CCCCC21)c1ccccc1
InChIInChI=1S/C18H27NO/c20-18(16-8-2-1-3-9-16)12-14-19-13-6-10-15-7-4-5-11-17(15)19/h1-3,8-9,15,17-18,20H,4-7,10-14H2
InChIKeyLHHFJSHJVIPGCJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.76
Rot. Bonds4

About 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol (PubChem CID 62613754) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol
PubChem CID62613754
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol
SMILESOC(CCN1CCCC2CCCCC21)c1ccccc1
InChIInChI=1S/C18H27NO/c20-18(16-8-2-1-3-9-16)12-14-19-13-6-10-15-7-4-5-11-17(15)19/h1-3,8-9,15,17-18,20H,4-7,10-14H2
InChIKeyLHHFJSHJVIPGCJ-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol with MolForge

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Related Compounds

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-bromophenyl)propan-1-ol
CID 102728348
1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol
CID 62623121
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031
2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine
CID 79315744
benzene;2-[(2R)-2-cyclohexylpyrrolidin-1-yl]ethanol
CID 143494141
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623035
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol (CID 62613754) is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol is OC(CCN1CCCC2CCCCC21)c1ccccc1.
What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol?
The InChIKey is LHHFJSHJVIPGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c20-18(16-8-2-1-3-9-16)12-14-19-13-6-10-15-7-4-5-11-17(15)19/h1-3,8-9,15,17-18,20H,4-7,10-14H2.
What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol?
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 62613754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).