2-[(3-bromophenyl)methyl]-5-methylthiophene

C12H11BrS — CID 23103385

IUPAC2-[(3-bromophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(Cc2cccc(Br)c2)s1
InChIInChI=1S/C12H11BrS/c1-9-5-6-12(14-9)8-10-3-2-4-11(13)7-10/h2-7H,8H2,1H3
InChIKeyXOMBWFHHBHRGJY-UHFFFAOYSA-N
MW267.19 g/mol
LogP4.41
Rot. Bonds2

About 2-[(3-bromophenyl)methyl]-5-methylthiophene

2-[(3-bromophenyl)methyl]-5-methylthiophene (PubChem CID 23103385) has the molecular formula C12H11BrS and a molecular weight of 267.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-5-methylthiophene
PubChem CID23103385
Molecular FormulaC12H11BrS
Molecular Weight267.19 g/mol
Exact Mass265.98
IUPAC Name2-[(3-bromophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(Cc2cccc(Br)c2)s1
InChIInChI=1S/C12H11BrS/c1-9-5-6-12(14-9)8-10-3-2-4-11(13)7-10/h2-7H,8H2,1H3
InChIKeyXOMBWFHHBHRGJY-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111883453
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CID 138571512
2-[(3-bromophenyl)methyl]-1-benzothiophene
CID 67069102
2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene
CID 123745360
[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054774
3-[(5-bromothiophen-2-yl)methyl]-N-methylaniline
CID 116925874
[5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol
CID 102290574
1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617374
4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole
CID 79832407
1-[4-[[(3-bromophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727647

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[(3-bromophenyl)methyl]-5-methylthiophene (CID 23103385) is 2-[(3-bromophenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-5-methylthiophene is Cc1ccc(Cc2cccc(Br)c2)s1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-5-methylthiophene?
The InChIKey is XOMBWFHHBHRGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrS/c1-9-5-6-12(14-9)8-10-3-2-4-11(13)7-10/h2-7H,8H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-5-methylthiophene?
2-[(3-bromophenyl)methyl]-5-methylthiophene has a molecular weight of 267.19 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 23103385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).