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

C14H15BrOS — CID 63443253

IUPAC2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene
SMILESCOc1ccc(C)cc1C(Br)c1sccc1C
InChIInChI=1S/C14H15BrOS/c1-9-4-5-12(16-3)11(8-9)13(15)14-10(2)6-7-17-14/h4-8,13H,1-3H3
InChIKeyQZKUKCPQQUOEGG-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.86
Rot. Bonds3

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

2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene (PubChem CID 63443253) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene
PubChem CID63443253
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene
SMILESCOc1ccc(C)cc1C(Br)c1sccc1C
InChIInChI=1S/C14H15BrOS/c1-9-4-5-12(16-3)11(8-9)13(15)14-10(2)6-7-17-14/h4-8,13H,1-3H3
InChIKeyQZKUKCPQQUOEGG-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.86
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-(2,5-dimethoxyphenyl)methyl]-3-methylthiophene
CID 61096679
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43626117
2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene
CID 65433577
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-chlorothiophene
CID 80642142
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105303595
2-[bromo-(2-fluoro-5-methylphenyl)methyl]-3-chlorothiophene
CID 80531659
2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene
CID 63443769
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
2-[bromo-(3,4-dimethylphenyl)methyl]-3-methylthiophene
CID 63435676
5-[bromo-(2-methoxy-5-methylphenyl)methyl]-1,2,3-trifluorobenzene
CID 63443341

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene?
The IUPAC name of 2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene (CID 63443253) is 2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene is COc1ccc(C)cc1C(Br)c1sccc1C.
What is the InChIKey of 2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene?
The InChIKey is QZKUKCPQQUOEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-9-4-5-12(16-3)11(8-9)13(15)14-10(2)6-7-17-14/h4-8,13H,1-3H3.
What are the key properties of 2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene?
2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene has a molecular weight of 311.24 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene is sourced from PubChem (CID 63443253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).