(4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol

C16H20O — CID 10823255

IUPAC(4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
SMILESO[C@]12CCCC[C@H]1CC=C(c1ccccc1)C2
InChIInChI=1S/C16H20O/c17-16-11-5-4-8-15(16)10-9-14(12-16)13-6-2-1-3-7-13/h1-3,6-7,9,15,17H,4-5,8,10-12H2/t15-,16-/m0/s1
InChIKeyYSCNSZDFIYVGFW-HOTGVXAUSA-N
MW228.34 g/mol
LogP3.79
Rot. Bonds1

About (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol

(4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol (PubChem CID 10823255) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name(4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
PubChem CID10823255
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
SMILESO[C@]12CCCC[C@H]1CC=C(c1ccccc1)C2
InChIInChI=1S/C16H20O/c17-16-11-5-4-8-15(16)10-9-14(12-16)13-6-2-1-3-7-13/h1-3,6-7,9,15,17H,4-5,8,10-12H2/t15-,16-/m0/s1
InChIKeyYSCNSZDFIYVGFW-HOTGVXAUSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol with MolForge

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Related Compounds

(4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 134978773
(4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 10727086
(4aS,8aR)-2-phenyl-4,5,6,7,8,8a-hexahydrochromen-4a-ol
CID 11229978
1-phenylbicyclo[4.1.0]heptane
CID 582374
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
1,1'-biphenyl;cyclohexanol
CID 142137438
8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 131858050
4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 91357304
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743
(1S,12R)-7-azatricyclo[10.4.0.03,8]hexadeca-3(8),4,6-trien-12-ol
CID 11064278
1-benzyl-3-cyclopentylazepan-3-ol
CID 83826093
3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol
CID 14489464

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
The IUPAC name of (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol (CID 10823255) is (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
The canonical SMILES for (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol is O[C@]12CCCC[C@H]1CC=C(c1ccccc1)C2.
What is the InChIKey of (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
The InChIKey is YSCNSZDFIYVGFW-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H20O/c17-16-11-5-4-8-15(16)10-9-14(12-16)13-6-2-1-3-7-13/h1-3,6-7,9,15,17H,4-5,8,10-12H2/t15-,16-/m0/s1.
What are the key properties of (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
(4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol has a molecular weight of 228.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 10823255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).