2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene

C17H14Br2S — CID 79996492

IUPAC2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Br)c2ccc(C)c3ccccc23)sc1Br
InChIInChI=1S/C17H14Br2S/c1-10-7-8-14(13-6-4-3-5-12(10)13)16(18)15-9-11(2)17(19)20-15/h3-9,16H,1-2H3
InChIKeyRHIZJRQIPCNAKS-UHFFFAOYSA-N
MW410.17 g/mol
LogP6.76
Rot. Bonds2

About 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene

2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene (PubChem CID 79996492) has the molecular formula C17H14Br2S and a molecular weight of 410.17 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene
PubChem CID79996492
Molecular FormulaC17H14Br2S
Molecular Weight410.17 g/mol
Exact Mass407.92
IUPAC Name2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Br)c2ccc(C)c3ccccc23)sc1Br
InChIInChI=1S/C17H14Br2S/c1-10-7-8-14(13-6-4-3-5-12(10)13)16(18)15-9-11(2)17(19)20-15/h3-9,16H,1-2H3
InChIKeyRHIZJRQIPCNAKS-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.17
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
CID 79997261
(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
CID 79998988
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863173
2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene
CID 81432825
2-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-chloro-4-methylthiophene
CID 103404811
2-bromo-5-[(4-bromo-2-methylphenyl)-chloromethyl]-3-methylthiophene
CID 79992124
2-bromo-5-[bromo-(3-methoxyphenyl)methyl]-3-methylthiophene
CID 79991701
2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
CID 107983607
2-bromo-5-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 79996862
2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80531860
2-bromo-5-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-methylthiophene
CID 79996585

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene?
The IUPAC name of 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene (CID 79996492) is 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene?
The canonical SMILES for 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene is Cc1cc(C(Br)c2ccc(C)c3ccccc23)sc1Br.
What is the InChIKey of 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene?
The InChIKey is RHIZJRQIPCNAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2S/c1-10-7-8-14(13-6-4-3-5-12(10)13)16(18)15-9-11(2)17(19)20-15/h3-9,16H,1-2H3.
What are the key properties of 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene?
2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene has a molecular weight of 410.17 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene is sourced from PubChem (CID 79996492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).