(2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol

C16H11BrO — CID 23051117

IUPAC(2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol
SMILESO/C1=C/c2ccccc2/C=C\c2ccc(Br)cc21
InChIInChI=1S/C16H11BrO/c17-14-8-7-12-6-5-11-3-1-2-4-13(11)9-16(18)15(12)10-14/h1-10,18H/b6-5-,11-5-,12-6-,13-9-,16-9+,16-15+
InChIKeyVDCIHZDWSFSKCH-UEGUKDQYSA-N
MW299.17 g/mol
LogP4.99
Rot. Bonds

About (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol

(2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol (PubChem CID 23051117) has the molecular formula C16H11BrO and a molecular weight of 299.17 g/mol. Its IUPAC name is (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol.

Molecular Properties

Compound Name(2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol
PubChem CID23051117
Molecular FormulaC16H11BrO
Molecular Weight299.17 g/mol
Exact Mass298.00
IUPAC Name(2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol
SMILESO/C1=C/c2ccccc2/C=C\c2ccc(Br)cc21
InChIInChI=1S/C16H11BrO/c17-14-8-7-12-6-5-11-3-1-2-4-13(11)9-16(18)15(12)10-14/h1-10,18H/b6-5-,11-5-,12-6-,13-9-,16-9+,16-15+
InChIKeyVDCIHZDWSFSKCH-UEGUKDQYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
The IUPAC name of (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol (CID 23051117) is (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol.
What is the SMILES notation for (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
The canonical SMILES for (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol is O/C1=C/c2ccccc2/C=C\c2ccc(Br)cc21.
What is the InChIKey of (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
The InChIKey is VDCIHZDWSFSKCH-UEGUKDQYSA-N. The full InChI is InChI=1S/C16H11BrO/c17-14-8-7-12-6-5-11-3-1-2-4-13(11)9-16(18)15(12)10-14/h1-10,18H/b6-5-,11-5-,12-6-,13-9-,16-9+,16-15+.
What are the key properties of (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
(2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol has a molecular weight of 299.17 g/mol, XLogP of 4.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,10Z)-15-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol is sourced from PubChem (CID 23051117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).