(1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

C16H22O — CID 10609515

IUPAC(1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESO[C@H]1CCC[C@H]2CCC[C@@H](c3ccccc3)[C@@H]21
InChIInChI=1S/C16H22O/c17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12/h1-3,6-7,13-17H,4-5,8-11H2/t13-,14+,15+,16-/m1/s1
InChIKeyIJLYLQVYURNOAB-FXUDXRNXSA-N
MW230.35 g/mol
LogP3.73
Rot. Bonds1

About (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

(1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (PubChem CID 10609515) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
PubChem CID10609515
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESO[C@H]1CCC[C@H]2CCC[C@@H](c3ccccc3)[C@@H]21
InChIInChI=1S/C16H22O/c17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12/h1-3,6-7,13-17H,4-5,8-11H2/t13-,14+,15+,16-/m1/s1
InChIKeyIJLYLQVYURNOAB-FXUDXRNXSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The IUPAC name of (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (CID 10609515) is (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.
What is the SMILES notation for (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The canonical SMILES for (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is O[C@H]1CCC[C@H]2CCC[C@@H](c3ccccc3)[C@@H]21.
What is the InChIKey of (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The InChIKey is IJLYLQVYURNOAB-FXUDXRNXSA-N. The full InChI is InChI=1S/C16H22O/c17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12/h1-3,6-7,13-17H,4-5,8-11H2/t13-,14+,15+,16-/m1/s1.
What are the key properties of (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
(1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol has a molecular weight of 230.35 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is sourced from PubChem (CID 10609515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).