3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene

C26H17ClO — CID 86208864

IUPAC3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene
SMILESClc1cccc2c1C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H17ClO/c27-23-17-9-16-22-24(23)26(19-12-5-2-6-13-19)21-15-8-7-14-20(21)25(22,28-26)18-10-3-1-4-11-18/h1-17H
InChIKeyMUZXMOMGKNWJQZ-UHFFFAOYSA-N
MW380.87 g/mol
LogP6.27
Rot. Bonds2

About 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene

3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene (PubChem CID 86208864) has the molecular formula C26H17ClO and a molecular weight of 380.87 g/mol. Its IUPAC name is 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene.

Molecular Properties

Compound Name3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene
PubChem CID86208864
Molecular FormulaC26H17ClO
Molecular Weight380.87 g/mol
Exact Mass380.10
IUPAC Name3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene
SMILESClc1cccc2c1C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H17ClO/c27-23-17-9-16-22-24(23)26(19-12-5-2-6-13-19)21-15-8-7-14-20(21)25(22,28-26)18-10-3-1-4-11-18/h1-17H
InChIKeyMUZXMOMGKNWJQZ-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.87
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene?
The IUPAC name of 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene (CID 86208864) is 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene.
What is the SMILES notation for 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene?
The canonical SMILES for 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene is Clc1cccc2c1C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene?
The InChIKey is MUZXMOMGKNWJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClO/c27-23-17-9-16-22-24(23)26(19-12-5-2-6-13-19)21-15-8-7-14-20(21)25(22,28-26)18-10-3-1-4-11-18/h1-17H.
What are the key properties of 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene?
3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene has a molecular weight of 380.87 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene is sourced from PubChem (CID 86208864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).