2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene

C15H13BrS — CID 140504811

IUPAC2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene
SMILESCC1=Cc2c(Br)cc(-c3ccc(C)s3)cc2C1
InChIInChI=1S/C15H13BrS/c1-9-5-11-7-12(8-14(16)13(11)6-9)15-4-3-10(2)17-15/h3-4,6-8H,5H2,1-2H3
InChIKeyUXANYNHURHDRMJ-UHFFFAOYSA-N
MW305.24 g/mol
LogP5.45
Rot. Bonds1

About 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene

2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene (PubChem CID 140504811) has the molecular formula C15H13BrS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene.

Molecular Properties

Compound Name2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene
PubChem CID140504811
Molecular FormulaC15H13BrS
Molecular Weight305.24 g/mol
Exact Mass303.99
IUPAC Name2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene
SMILESCC1=Cc2c(Br)cc(-c3ccc(C)s3)cc2C1
InChIInChI=1S/C15H13BrS/c1-9-5-11-7-12(8-14(16)13(11)6-9)15-4-3-10(2)17-15/h3-4,6-8H,5H2,1-2H3
InChIKeyUXANYNHURHDRMJ-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.24
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene
CID 140504781
[3-methyl-5-(5-methylthiophen-2-yl)phenyl]carbamic acid
CID 138557945
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
1-bromo-6-methyl-5H-cyclopenta[c]pyridine
CID 159729592
2-methyl-5-(4-naphthalen-2-yl-1H-inden-2-yl)thiophene
CID 18420530
2-bromo-5-[11,17,23-tris(5-bromothiophen-2-yl)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]thiophene
CID 101401774
2-methyl-5-[11-(5-methylthiophen-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophene
CID 101206627
[4-bromo-5-(5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane
CID 159208132
cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene
CID 91361276
4-bromo-6-(5-methylthiophen-2-yl)pyridazin-3-amine
CID 117106432
2-methyl-5-[20-(5-methylthiophen-2-yl)-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl]thiophene
CID 58411173
4-(5-methylthiophen-2-yl)benzene-1,2-diol
CID 25130840

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene?
The IUPAC name of 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene (CID 140504811) is 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene.
What is the SMILES notation for 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene?
The canonical SMILES for 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene is CC1=Cc2c(Br)cc(-c3ccc(C)s3)cc2C1.
What is the InChIKey of 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene?
The InChIKey is UXANYNHURHDRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrS/c1-9-5-11-7-12(8-14(16)13(11)6-9)15-4-3-10(2)17-15/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene?
2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene has a molecular weight of 305.24 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene is sourced from PubChem (CID 140504811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).