(1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one

C15H16O2 — CID 163610308

IUPAC(1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one
SMILESO=C1CC[C@@]23CC(Cc4cc(O)ccc42)[C@@H]3C1
InChIInChI=1S/C15H16O2/c16-11-1-2-13-9(6-11)5-10-8-15(13)4-3-12(17)7-14(10)15/h1-2,6,10,14,16H,3-5,7-8H2/t10?,14-,15+/m0/s1
InChIKeyHFICHQFOHISJJI-XVDHHWJWSA-N
MW228.29 g/mol
LogP2.58
Rot. Bonds

About (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one

(1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one (PubChem CID 163610308) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one.

Molecular Properties

Compound Name(1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one
PubChem CID163610308
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one
SMILESO=C1CC[C@@]23CC(Cc4cc(O)ccc42)[C@@H]3C1
InChIInChI=1S/C15H16O2/c16-11-1-2-13-9(6-11)5-10-8-15(13)4-3-12(17)7-14(10)15/h1-2,6,10,14,16H,3-5,7-8H2/t10?,14-,15+/m0/s1
InChIKeyHFICHQFOHISJJI-XVDHHWJWSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one?
The IUPAC name of (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one (CID 163610308) is (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one.
What is the SMILES notation for (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one?
The canonical SMILES for (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one is O=C1CC[C@@]23CC(Cc4cc(O)ccc42)[C@@H]3C1.
What is the InChIKey of (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one?
The InChIKey is HFICHQFOHISJJI-XVDHHWJWSA-N. The full InChI is InChI=1S/C15H16O2/c16-11-1-2-13-9(6-11)5-10-8-15(13)4-3-12(17)7-14(10)15/h1-2,6,10,14,16H,3-5,7-8H2/t10?,14-,15+/m0/s1.
What are the key properties of (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one?
(1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one has a molecular weight of 228.29 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10S)-5-hydroxytetracyclo[7.5.1.01,10.02,7]pentadeca-2(7),3,5-trien-12-one is sourced from PubChem (CID 163610308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).