2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene

C14H14Br2OS — CID 65433577

IUPAC2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene
SMILESCOc1cc(C)c(Br)cc1C(Br)c1sccc1C
InChIInChI=1S/C14H14Br2OS/c1-8-4-5-18-14(8)13(16)10-7-11(15)9(2)6-12(10)17-3/h4-7,13H,1-3H3
InChIKeyBQFIDXOIIKQGLK-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.62
Rot. Bonds3

About 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene

2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene (PubChem CID 65433577) has the molecular formula C14H14Br2OS and a molecular weight of 390.14 g/mol. Its IUPAC name is 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene
PubChem CID65433577
Molecular FormulaC14H14Br2OS
Molecular Weight390.14 g/mol
Exact Mass387.91
IUPAC Name2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene
SMILESCOc1cc(C)c(Br)cc1C(Br)c1sccc1C
InChIInChI=1S/C14H14Br2OS/c1-8-4-5-18-14(8)13(16)10-7-11(15)9(2)6-12(10)17-3/h4-7,13H,1-3H3
InChIKeyBQFIDXOIIKQGLK-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-3-methylthiophene
CID 63435889
2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene
CID 63443253
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylthiophene
CID 61096679
3-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]thiophene
CID 65432606
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122988
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81473921
1-bromo-5-[bromo-(3-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432224
N-[(5-bromo-2-methoxy-4-methylphenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 80644169
2-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxythiophene
CID 81124391
1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433000
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene?
The IUPAC name of 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene (CID 65433577) is 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene is COc1cc(C)c(Br)cc1C(Br)c1sccc1C.
What is the InChIKey of 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene?
The InChIKey is BQFIDXOIIKQGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2OS/c1-8-4-5-18-14(8)13(16)10-7-11(15)9(2)6-12(10)17-3/h4-7,13H,1-3H3.
What are the key properties of 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene?
2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene has a molecular weight of 390.14 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene is sourced from PubChem (CID 65433577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).