(11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one

C15H11ClO4 — CID 102287339

IUPAC(11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one
SMILESC[C@H]1Oc2c(oc3ccc(Cl)cc3c2=O)[C@@H]2C=CO[C@H]12
InChIInChI=1S/C15H11ClO4/c1-7-13-9(4-5-18-13)14-15(19-7)12(17)10-6-8(16)2-3-11(10)20-14/h2-7,9,13H,1H3/t7-,9-,13-/m1/s1
InChIKeyOHWFNOATKRDOLO-HUQFOHBGSA-N
MW290.70 g/mol
LogP3.22
Rot. Bonds

About (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one

(11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one (PubChem CID 102287339) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one.

Molecular Properties

Compound Name(11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one
PubChem CID102287339
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name(11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one
SMILESC[C@H]1Oc2c(oc3ccc(Cl)cc3c2=O)[C@@H]2C=CO[C@H]12
InChIInChI=1S/C15H11ClO4/c1-7-13-9(4-5-18-13)14-15(19-7)12(17)10-6-8(16)2-3-11(10)20-14/h2-7,9,13H,1H3/t7-,9-,13-/m1/s1
InChIKeyOHWFNOATKRDOLO-HUQFOHBGSA-N
XLogP3.22
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one with MolForge

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Related Compounds

(11R,15S,16R)-16-benzyl-5-chloro-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one
CID 102287347
5-chloro-16-methyl-9,17-dioxa-12-thiatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11(15),13-hexaen-2-one
CID 10566460
(11R,12R,13S,14R)-5-chloro-2-oxo-14-phenyl-9,15-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),3(8),4,6-tetraene-12-carbaldehyde
CID 10338121
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2,3-dibenzoyl-7-chloroxanthen-9-one
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Frequently Asked Questions

What is the IUPAC name of (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one?
The IUPAC name of (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one (CID 102287339) is (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one.
What is the SMILES notation for (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one?
The canonical SMILES for (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one is C[C@H]1Oc2c(oc3ccc(Cl)cc3c2=O)[C@@H]2C=CO[C@H]12.
What is the InChIKey of (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one?
The InChIKey is OHWFNOATKRDOLO-HUQFOHBGSA-N. The full InChI is InChI=1S/C15H11ClO4/c1-7-13-9(4-5-18-13)14-15(19-7)12(17)10-6-8(16)2-3-11(10)20-14/h2-7,9,13H,1H3/t7-,9-,13-/m1/s1.
What are the key properties of (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one?
(11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one has a molecular weight of 290.70 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one is sourced from PubChem (CID 102287339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).