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

C15H9ClO3S — CID 10566460

IUPAC5-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
SMILESCC1Oc2c(oc3ccc(Cl)cc3c2=O)-c2sccc21
InChIInChI=1S/C15H9ClO3S/c1-7-9-4-5-20-15(9)14-13(18-7)12(17)10-6-8(16)2-3-11(10)19-14/h2-7H,1H3
InChIKeyAUCPKTABBSOFDQ-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.63
Rot. Bonds

About 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

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 (PubChem CID 10566460) has the molecular formula C15H9ClO3S and a molecular weight of 304.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID10566460
Molecular FormulaC15H9ClO3S
Molecular Weight304.75 g/mol
Exact Mass304.00
IUPAC Name5-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
SMILESCC1Oc2c(oc3ccc(Cl)cc3c2=O)-c2sccc21
InChIInChI=1S/C15H9ClO3S/c1-7-9-4-5-20-15(9)14-13(18-7)12(17)10-6-8(16)2-3-11(10)19-14/h2-7H,1H3
InChIKeyAUCPKTABBSOFDQ-UHFFFAOYSA-N
XLogP4.63
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3802808
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
(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
methyl (E)-4-(6-chloro-4-oxo-2-thiophen-2-ylchromen-3-yl)oxybut-2-enoate
CID 101197013
1-(4-tert-butylphenyl)-7-chloro-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5014741
2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
CID 7729084
7-chloro-1-(2-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3556367
7-chloro-1-(4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4011625
7-chloro-2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5193551
(2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one
CID 177450513

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1Oc2c(oc3ccc(Cl)cc3c2=O)-c2sccc21.
What is the InChIKey of 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?
The InChIKey is AUCPKTABBSOFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO3S/c1-7-9-4-5-20-15(9)14-13(18-7)12(17)10-6-8(16)2-3-11(10)19-14/h2-7H,1H3.
What are the key properties of 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?
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 has a molecular weight of 304.75 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10566460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).