6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one

C17H15BrO2 — CID 143151829

IUPAC6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
SMILESO=C1c2ccc(Br)cc2CC(CCO)c2ccccc21
InChIInChI=1S/C17H15BrO2/c18-13-5-6-15-12(10-13)9-11(7-8-19)14-3-1-2-4-16(14)17(15)20/h1-6,10-11,19H,7-9H2
InChIKeyVSUIHTRQIHVRPT-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.70
Rot. Bonds2

About 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one

6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one (PubChem CID 143151829) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one.

Molecular Properties

Compound Name6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
PubChem CID143151829
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
SMILESO=C1c2ccc(Br)cc2CC(CCO)c2ccccc21
InChIInChI=1S/C17H15BrO2/c18-13-5-6-15-12(10-13)9-11(7-8-19)14-3-1-2-4-16(14)17(15)20/h1-6,10-11,19H,7-9H2
InChIKeyVSUIHTRQIHVRPT-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one?
The IUPAC name of 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one (CID 143151829) is 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one.
What is the SMILES notation for 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one?
The canonical SMILES for 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one is O=C1c2ccc(Br)cc2CC(CCO)c2ccccc21.
What is the InChIKey of 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one?
The InChIKey is VSUIHTRQIHVRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c18-13-5-6-15-12(10-13)9-11(7-8-19)14-3-1-2-4-16(14)17(15)20/h1-6,10-11,19H,7-9H2.
What are the key properties of 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one?
6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one has a molecular weight of 331.21 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-10-(2-hydroxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one is sourced from PubChem (CID 143151829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).