(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol

C17H17BrO — CID 102134724

IUPAC(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol
SMILESOCc1c2ccc(c1Br)CCc1ccc(cc1)CC2
InChIInChI=1S/C17H17BrO/c18-17-15-8-6-13-3-1-12(2-4-13)5-7-14(9-10-15)16(17)11-19/h1-4,9-10,19H,5-8,11H2
InChIKeyLUTPZVQFPPSFPZ-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.83
Rot. Bonds1

About (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol

(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol (PubChem CID 102134724) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol.

Molecular Properties

Compound Name(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol
PubChem CID102134724
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol
SMILESOCc1c2ccc(c1Br)CCc1ccc(cc1)CC2
InChIInChI=1S/C17H17BrO/c18-17-15-8-6-13-3-1-12(2-4-13)5-7-14(9-10-15)16(17)11-19/h1-4,9-10,19H,5-8,11H2
InChIKeyLUTPZVQFPPSFPZ-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol?
The IUPAC name of (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol (CID 102134724) is (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol.
What is the SMILES notation for (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol?
The canonical SMILES for (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol is OCc1c2ccc(c1Br)CCc1ccc(cc1)CC2.
What is the InChIKey of (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol?
The InChIKey is LUTPZVQFPPSFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c18-17-15-8-6-13-3-1-12(2-4-13)5-7-14(9-10-15)16(17)11-19/h1-4,9-10,19H,5-8,11H2.
What are the key properties of (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol?
(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol has a molecular weight of 317.23 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol is sourced from PubChem (CID 102134724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).