(11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one

C26H18O3 — CID 134948571

IUPAC(11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one
SMILESCc1ccc2cc3c(cc2c1)[C@@]1(c2ccccc2)OC(=O)O[C@@]31c1ccccc1
InChIInChI=1S/C26H18O3/c1-17-12-13-18-15-22-23(16-19(18)14-17)26(21-10-6-3-7-11-21)25(22,28-24(27)29-26)20-8-4-2-5-9-20/h2-16H,1H3/t25-,26+/m0/s1
InChIKeyNXFXXSLPDZHKEJ-IZZNHLLZSA-N
MW378.43 g/mol
LogP5.82
Rot. Bonds2

About (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one

(11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one (PubChem CID 134948571) has the molecular formula C26H18O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one.

Molecular Properties

Compound Name(11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one
PubChem CID134948571
Molecular FormulaC26H18O3
Molecular Weight378.43 g/mol
Exact Mass378.13
IUPAC Name(11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one
SMILESCc1ccc2cc3c(cc2c1)[C@@]1(c2ccccc2)OC(=O)O[C@@]31c1ccccc1
InChIInChI=1S/C26H18O3/c1-17-12-13-18-15-22-23(16-19(18)14-17)26(21-10-6-3-7-11-21)25(22,28-24(27)29-26)20-8-4-2-5-9-20/h2-16H,1H3/t25-,26+/m0/s1
InChIKeyNXFXXSLPDZHKEJ-IZZNHLLZSA-N
XLogP5.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one?
The IUPAC name of (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one (CID 134948571) is (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one.
What is the SMILES notation for (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one?
The canonical SMILES for (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one is Cc1ccc2cc3c(cc2c1)[C@@]1(c2ccccc2)OC(=O)O[C@@]31c1ccccc1.
What is the InChIKey of (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one?
The InChIKey is NXFXXSLPDZHKEJ-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H18O3/c1-17-12-13-18-15-22-23(16-19(18)14-17)26(21-10-6-3-7-11-21)25(22,28-24(27)29-26)20-8-4-2-5-9-20/h2-16H,1H3/t25-,26+/m0/s1.
What are the key properties of (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one?
(11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one has a molecular weight of 378.43 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11S,15R)-5-methyl-11,15-diphenyl-12,14-dioxatetracyclo[8.5.0.03,8.011,15]pentadeca-1(10),2,4,6,8-pentaen-13-one is sourced from PubChem (CID 134948571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).