(11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one

C15H12O2 — CID 164680920

IUPAC(11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one
SMILESO=C1C[C@H]2COc3c(ccc4ccccc34)[C@@H]12
InChIInChI=1S/C15H12O2/c16-13-7-10-8-17-15-11-4-2-1-3-9(11)5-6-12(15)14(10)13/h1-6,10,14H,7-8H2/t10-,14-/m0/s1
InChIKeyKCCBFRJDVMFXMW-HZMBPMFUSA-N
MW224.26 g/mol
LogP2.90
Rot. Bonds

About (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one

(11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one (PubChem CID 164680920) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one.

Molecular Properties

Compound Name(11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one
PubChem CID164680920
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one
SMILESO=C1C[C@H]2COc3c(ccc4ccccc34)[C@@H]12
InChIInChI=1S/C15H12O2/c16-13-7-10-8-17-15-11-4-2-1-3-9(11)5-6-12(15)14(10)13/h1-6,10,14H,7-8H2/t10-,14-/m0/s1
InChIKeyKCCBFRJDVMFXMW-HZMBPMFUSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one?
The IUPAC name of (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one (CID 164680920) is (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one.
What is the SMILES notation for (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one?
The canonical SMILES for (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one is O=C1C[C@H]2COc3c(ccc4ccccc34)[C@@H]12.
What is the InChIKey of (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one?
The InChIKey is KCCBFRJDVMFXMW-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H12O2/c16-13-7-10-8-17-15-11-4-2-1-3-9(11)5-6-12(15)14(10)13/h1-6,10,14H,7-8H2/t10-,14-/m0/s1.
What are the key properties of (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one?
(11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one has a molecular weight of 224.26 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one is sourced from PubChem (CID 164680920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).