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

C23H19ClO2 — CID 2751460

IUPAC15-chloro-4,7-dimethyl-7-phenyl-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)CCC2(C)c1ccccc1
InChIInChI=1S/C23H19ClO2/c1-14-12-18-22(25-14)21-17-13-16(24)8-9-19(17)26-20(21)10-11-23(18,2)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCGECLQBCSRMVSY-UHFFFAOYSA-N
MW362.86 g/mol
LogP6.91
Rot. Bonds1

About 15-chloro-4,7-dimethyl-7-phenyl-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-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene (PubChem CID 2751460) has the molecular formula C23H19ClO2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 15-chloro-4,7-dimethyl-7-phenyl-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-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene
PubChem CID2751460
Molecular FormulaC23H19ClO2
Molecular Weight362.86 g/mol
Exact Mass362.11
IUPAC Name15-chloro-4,7-dimethyl-7-phenyl-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)CCC2(C)c1ccccc1
InChIInChI=1S/C23H19ClO2/c1-14-12-18-22(25-14)21-17-13-16(24)8-9-19(17)26-20(21)10-11-23(18,2)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCGECLQBCSRMVSY-UHFFFAOYSA-N
XLogP6.91
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-chloro-4,7-dimethyl-7-phenyl-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-7-phenyl-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-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene (CID 2751460) is 15-chloro-4,7-dimethyl-7-phenyl-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-7-phenyl-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-7-phenyl-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)CCC2(C)c1ccccc1.
What is the InChIKey of 15-chloro-4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene?
The InChIKey is CGECLQBCSRMVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO2/c1-14-12-18-22(25-14)21-17-13-16(24)8-9-19(17)26-20(21)10-11-23(18,2)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 15-chloro-4,7-dimethyl-7-phenyl-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-7-phenyl-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 362.86 g/mol, XLogP of 6.91, 1 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-7-phenyl-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 2751460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).