15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene

C17H15ClO2 — CID 2755908

IUPAC15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene
SMILESCc1cc2c(o1)-c1c(oc3ccc(Cl)cc13)CCC2C
InChIInChI=1S/C17H15ClO2/c1-9-3-5-15-16(17-12(9)7-10(2)19-17)13-8-11(18)4-6-14(13)20-15/h4,6-9H,3,5H2,1-2H3
InChIKeyPNYZJUYQCXUZNB-UHFFFAOYSA-N
MW286.76 g/mol
LogP5.70
Rot. Bonds

About 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene

15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene (PubChem CID 2755908) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene.

Molecular Properties

Compound Name15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene
PubChem CID2755908
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene
SMILESCc1cc2c(o1)-c1c(oc3ccc(Cl)cc13)CCC2C
InChIInChI=1S/C17H15ClO2/c1-9-3-5-15-16(17-12(9)7-10(2)19-17)13-8-11(18)4-6-14(13)20-15/h4,6-9H,3,5H2,1-2H3
InChIKeyPNYZJUYQCXUZNB-UHFFFAOYSA-N
XLogP5.70
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.76
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene?
The IUPAC name of 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene (CID 2755908) is 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene.
What is the SMILES notation for 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene?
The canonical SMILES for 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene is Cc1cc2c(o1)-c1c(oc3ccc(Cl)cc13)CCC2C.
What is the InChIKey of 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene?
The InChIKey is PNYZJUYQCXUZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-9-3-5-15-16(17-12(9)7-10(2)19-17)13-8-11(18)4-6-14(13)20-15/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene?
15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene has a molecular weight of 286.76 g/mol, XLogP of 5.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene is sourced from PubChem (CID 2755908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).