14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione

C16H11BrO2 — CID 145241657

IUPAC14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione
SMILESO=C1Cc2ccccc2CC(=O)c2cc(Br)ccc21
InChIInChI=1S/C16H11BrO2/c17-12-5-6-13-14(9-12)16(19)8-11-4-2-1-3-10(11)7-15(13)18/h1-6,9H,7-8H2
InChIKeyBBHCRXHSPHEXHW-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.61
Rot. Bonds

About 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione

14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione (PubChem CID 145241657) has the molecular formula C16H11BrO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione.

Molecular Properties

Compound Name14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione
PubChem CID145241657
Molecular FormulaC16H11BrO2
Molecular Weight315.17 g/mol
Exact Mass313.99
IUPAC Name14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione
SMILESO=C1Cc2ccccc2CC(=O)c2cc(Br)ccc21
InChIInChI=1S/C16H11BrO2/c17-12-5-6-13-14(9-12)16(19)8-11-4-2-1-3-10(11)7-15(13)18/h1-6,9H,7-8H2
InChIKeyBBHCRXHSPHEXHW-UHFFFAOYSA-N
XLogP3.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione with MolForge

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Related Compounds

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CID 91187219
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7-methoxy-10H-phenanthren-9-one
CID 135042116
3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane
CID 161169135
2-bromo-10-methylideneanthracen-9-one
CID 89197821
2,7-dibromophenanthrene-9,10-dione
CID 159425513
3-bromo-6,7-dihydro-5H-benzo[c]fluorene
CID 157467140
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298

Frequently Asked Questions

What is the IUPAC name of 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione?
The IUPAC name of 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione (CID 145241657) is 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione.
What is the SMILES notation for 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione?
The canonical SMILES for 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione is O=C1Cc2ccccc2CC(=O)c2cc(Br)ccc21.
What is the InChIKey of 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione?
The InChIKey is BBHCRXHSPHEXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO2/c17-12-5-6-13-14(9-12)16(19)8-11-4-2-1-3-10(11)7-15(13)18/h1-6,9H,7-8H2.
What are the key properties of 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione?
14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione has a molecular weight of 315.17 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione is sourced from PubChem (CID 145241657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).