2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene

C14H14Br2OS — CID 63435339

IUPAC2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)c2ccc(OC)c(Br)c2)s1
InChIInChI=1S/C14H14Br2OS/c1-3-10-5-7-13(18-10)14(16)9-4-6-12(17-2)11(15)8-9/h4-8,14H,3H2,1-2H3
InChIKeyLBMZTISRWBRABR-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.57
Rot. Bonds4

About 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene

2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene (PubChem CID 63435339) has the molecular formula C14H14Br2OS and a molecular weight of 390.14 g/mol. Its IUPAC name is 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
PubChem CID63435339
Molecular FormulaC14H14Br2OS
Molecular Weight390.14 g/mol
Exact Mass387.91
IUPAC Name2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)c2ccc(OC)c(Br)c2)s1
InChIInChI=1S/C14H14Br2OS/c1-3-10-5-7-13(18-10)14(16)9-4-6-12(17-2)11(15)8-9/h4-8,14H,3H2,1-2H3
InChIKeyLBMZTISRWBRABR-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.57
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

(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene
CID 81284879
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115818040
3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835721
2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 63439491
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene
CID 63436190
2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 66608233
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
2-[bromo-(3-bromo-4-propoxyphenyl)methyl]-5-methylthiophene
CID 104662068
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893813

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene?
The IUPAC name of 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene (CID 63435339) is 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene?
The canonical SMILES for 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene is CCc1ccc(C(Br)c2ccc(OC)c(Br)c2)s1.
What is the InChIKey of 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene?
The InChIKey is LBMZTISRWBRABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2OS/c1-3-10-5-7-13(18-10)14(16)9-4-6-12(17-2)11(15)8-9/h4-8,14H,3H2,1-2H3.
What are the key properties of 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene?
2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene has a molecular weight of 390.14 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene is sourced from PubChem (CID 63435339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).