(2E,10Z)-14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol

C16H11BrO — CID 23051119

IUPAC(2E,10Z)-14-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\c2cc(Br)ccc21
InChIInChI=1S/C16H11BrO/c17-14-7-8-15-13(9-14)6-5-11-3-1-2-4-12(11)10-16(15)18/h1-10,18H/b6-5-,11-5-,12-10-,13-6-,16-10+,16-15+
InChIKeyQZJUXIMOYLHDHW-ZRTUTITHSA-N
MW299.17 g/mol
LogP4.99
Rot. Bonds

About (2E,10Z)-14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol

(2E,10Z)-14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol (PubChem CID 23051119) has the molecular formula C16H11BrO and a molecular weight of 299.17 g/mol. Its IUPAC name is (2E,10Z)-14-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)-14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol
PubChem CID23051119
Molecular FormulaC16H11BrO
Molecular Weight299.17 g/mol
Exact Mass298.00
IUPAC Name(2E,10Z)-14-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\c2cc(Br)ccc21
InChIInChI=1S/C16H11BrO/c17-14-7-8-15-13(9-14)6-5-11-3-1-2-4-12(11)10-16(15)18/h1-10,18H/b6-5-,11-5-,12-10-,13-6-,16-10+,16-15+
InChIKeyQZJUXIMOYLHDHW-ZRTUTITHSA-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)-14-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)-14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol (CID 23051119) is (2E,10Z)-14-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)-14-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)-14-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\c2cc(Br)ccc21.
What is the InChIKey of (2E,10Z)-14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
The InChIKey is QZJUXIMOYLHDHW-ZRTUTITHSA-N. The full InChI is InChI=1S/C16H11BrO/c17-14-7-8-15-13(9-14)6-5-11-3-1-2-4-12(11)10-16(15)18/h1-10,18H/b6-5-,11-5-,12-10-,13-6-,16-10+,16-15+.
What are the key properties of (2E,10Z)-14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
(2E,10Z)-14-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)-14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol is sourced from PubChem (CID 23051119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).