2-bromo-7-methyl-4,5,9,10-tetrahydropyrene

C17H15Br — CID 14266109

IUPAC2-bromo-7-methyl-4,5,9,10-tetrahydropyrene
SMILESCc1cc2c3c(c1)CCc1cc(Br)cc(c1-3)CC2
InChIInChI=1S/C17H15Br/c1-10-6-11-2-4-13-8-15(18)9-14-5-3-12(7-10)16(11)17(13)14/h6-9H,2-5H2,1H3
InChIKeyCCBINNMTZWULST-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.62
Rot. Bonds

About 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene

2-bromo-7-methyl-4,5,9,10-tetrahydropyrene (PubChem CID 14266109) has the molecular formula C17H15Br and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene.

Molecular Properties

Compound Name2-bromo-7-methyl-4,5,9,10-tetrahydropyrene
PubChem CID14266109
Molecular FormulaC17H15Br
Molecular Weight299.21 g/mol
Exact Mass298.04
IUPAC Name2-bromo-7-methyl-4,5,9,10-tetrahydropyrene
SMILESCc1cc2c3c(c1)CCc1cc(Br)cc(c1-3)CC2
InChIInChI=1S/C17H15Br/c1-10-6-11-2-4-13-8-15(18)9-14-5-3-12(7-10)16(11)17(13)14/h6-9H,2-5H2,1H3
InChIKeyCCBINNMTZWULST-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene 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 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene?
The IUPAC name of 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene (CID 14266109) is 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene.
What is the SMILES notation for 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene?
The canonical SMILES for 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene is Cc1cc2c3c(c1)CCc1cc(Br)cc(c1-3)CC2.
What is the InChIKey of 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene?
The InChIKey is CCBINNMTZWULST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br/c1-10-6-11-2-4-13-8-15(18)9-14-5-3-12(7-10)16(11)17(13)14/h6-9H,2-5H2,1H3.
What are the key properties of 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene?
2-bromo-7-methyl-4,5,9,10-tetrahydropyrene has a molecular weight of 299.21 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-methyl-4,5,9,10-tetrahydropyrene is sourced from PubChem (CID 14266109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).