15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C18H9ClOS — CID 177271268

IUPAC15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESClc1cccc2sc3c(ccc4oc5ccccc5c43)c12
InChIInChI=1S/C18H9ClOS/c19-12-5-3-7-15-16(12)11-8-9-14-17(18(11)21-15)10-4-1-2-6-13(10)20-14/h1-9H
InChIKeyIFDXVNBSLUYPIM-UHFFFAOYSA-N
MW308.79 g/mol
LogP6.61
Rot. Bonds

About 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 177271268) has the molecular formula C18H9ClOS and a molecular weight of 308.79 g/mol. Its IUPAC name is 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
PubChem CID177271268
Molecular FormulaC18H9ClOS
Molecular Weight308.79 g/mol
Exact Mass308.01
IUPAC Name15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESClc1cccc2sc3c(ccc4oc5ccccc5c43)c12
InChIInChI=1S/C18H9ClOS/c19-12-5-3-7-15-16(12)11-8-9-14-17(18(11)21-15)10-4-1-2-6-13(10)20-14/h1-9H
InChIKeyIFDXVNBSLUYPIM-UHFFFAOYSA-N
XLogP6.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.79
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene with MolForge

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Related Compounds

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CID 158314932
5-bromo-7-chloronaphtho[1,2-b][1]benzothiole
CID 166135113
7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran
CID 174362886
15-oxa-10,25-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaene
CID 162700590
N,N-diphenyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 165094885
9-chloro-N,N-diphenyldibenzothiophen-4-amine
CID 139422397
1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran
CID 176824741
N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
CID 139525661
2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran
CID 164934376
8-chloro-14-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
CID 164758773
9,21-dioxa-18-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 45139849
9-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl)carbazole
CID 146664194

Frequently Asked Questions

What is the IUPAC name of 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The IUPAC name of 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 177271268) is 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is Clc1cccc2sc3c(ccc4oc5ccccc5c43)c12.
What is the InChIKey of 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The InChIKey is IFDXVNBSLUYPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClOS/c19-12-5-3-7-15-16(12)11-8-9-14-17(18(11)21-15)10-4-1-2-6-13(10)20-14/h1-9H.
What are the key properties of 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 308.79 g/mol, XLogP of 6.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 177271268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).