(5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one

C24H18O2 — CID 132547890

IUPAC(5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one
SMILESO=C1C[C@H]2c3ccccc3[C@@H]3[C@@H](c4ccccc4)c4ccccc4C32O1
InChIInChI=1S/C24H18O2/c25-21-14-20-16-10-4-5-11-17(16)23-22(15-8-2-1-3-9-15)18-12-6-7-13-19(18)24(20,23)26-21/h1-13,20,22-23H,14H2/t20-,22-,23+,24?/m0/s1
InChIKeyDRZIFVGVOVQGHW-CYZPTFMXSA-N
MW338.41 g/mol
LogP4.86
Rot. Bonds1

About (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one

(5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one (PubChem CID 132547890) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one.

Molecular Properties

Compound Name(5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one
PubChem CID132547890
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name(5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one
SMILESO=C1C[C@H]2c3ccccc3[C@@H]3[C@@H](c4ccccc4)c4ccccc4C32O1
InChIInChI=1S/C24H18O2/c25-21-14-20-16-10-4-5-11-17(16)23-22(15-8-2-1-3-9-15)18-12-6-7-13-19(18)24(20,23)26-21/h1-13,20,22-23H,14H2/t20-,22-,23+,24?/m0/s1
InChIKeyDRZIFVGVOVQGHW-CYZPTFMXSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one with MolForge

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Related Compounds

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CID 132547888
(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one
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(4R)-4-(2-hydroxyphenyl)spiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one
CID 132535386
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CID 67916203
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CID 102138938
2-[2-(carboxymethyl)-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one?
The IUPAC name of (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one (CID 132547890) is (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one.
What is the SMILES notation for (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one?
The canonical SMILES for (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one is O=C1C[C@H]2c3ccccc3[C@@H]3[C@@H](c4ccccc4)c4ccccc4C32O1.
What is the InChIKey of (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one?
The InChIKey is DRZIFVGVOVQGHW-CYZPTFMXSA-N. The full InChI is InChI=1S/C24H18O2/c25-21-14-20-16-10-4-5-11-17(16)23-22(15-8-2-1-3-9-15)18-12-6-7-13-19(18)24(20,23)26-21/h1-13,20,22-23H,14H2/t20-,22-,23+,24?/m0/s1.
What are the key properties of (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one?
(5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one has a molecular weight of 338.41 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,12S,13S)-13-phenyl-2-oxapentacyclo[10.7.0.01,5.06,11.014,19]nonadeca-6,8,10,14,16,18-hexaen-3-one is sourced from PubChem (CID 132547890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).