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

C16H20O — CID 134978773

IUPAC(4aR,8aR)-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-/m1/s1
InChIKeyYSCNSZDFIYVGFW-HZPDHXFCSA-N
MW228.34 g/mol
LogP3.79
Rot. Bonds1

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

(4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol (PubChem CID 134978773) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name(4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
PubChem CID134978773
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(4aR,8aR)-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-/m1/s1
InChIKeyYSCNSZDFIYVGFW-HZPDHXFCSA-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 (4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
The IUPAC name of (4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol (CID 134978773) is (4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for (4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
The canonical SMILES for (4aR,8aR)-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 (4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
The InChIKey is YSCNSZDFIYVGFW-HZPDHXFCSA-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-/m1/s1.
What are the key properties of (4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol?
(4aR,8aR)-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 (4aR,8aR)-6-phenyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 134978773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).