6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene

C17H17BrO — CID 15474853

IUPAC6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
SMILESCOc1c2cc(Br)cc1CCc1ccc(cc1)CC2
InChIInChI=1S/C17H17BrO/c1-19-17-14-8-6-12-2-3-13(5-4-12)7-9-15(17)11-16(18)10-14/h2-5,10-11H,6-9H2,1H3
InChIKeySBCOVTJWQNEITB-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.34
Rot. Bonds1

About 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene

6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene (PubChem CID 15474853) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene.

Molecular Properties

Compound Name6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
PubChem CID15474853
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
SMILESCOc1c2cc(Br)cc1CCc1ccc(cc1)CC2
InChIInChI=1S/C17H17BrO/c1-19-17-14-8-6-12-2-3-13(5-4-12)7-9-15(17)11-16(18)10-14/h2-5,10-11H,6-9H2,1H3
InChIKeySBCOVTJWQNEITB-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
The IUPAC name of 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene (CID 15474853) is 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene.
What is the SMILES notation for 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
The canonical SMILES for 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene is COc1c2cc(Br)cc1CCc1ccc(cc1)CC2.
What is the InChIKey of 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
The InChIKey is SBCOVTJWQNEITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-19-17-14-8-6-12-2-3-13(5-4-12)7-9-15(17)11-16(18)10-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene has a molecular weight of 317.23 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene is sourced from PubChem (CID 15474853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).