2-[[4-(bromomethyl)phenoxy]methyl]thiophene

C12H11BrOS — CID 43141545

IUPAC2-[[4-(bromomethyl)phenoxy]methyl]thiophene
SMILESBrCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C12H11BrOS/c13-8-10-3-5-11(6-4-10)14-9-12-2-1-7-15-12/h1-7H,8-9H2
InChIKeyMKLABEHFZKMSEB-UHFFFAOYSA-N
MW283.19 g/mol
LogP4.22
Rot. Bonds4

About 2-[[4-(bromomethyl)phenoxy]methyl]thiophene

2-[[4-(bromomethyl)phenoxy]methyl]thiophene (PubChem CID 43141545) has the molecular formula C12H11BrOS and a molecular weight of 283.19 g/mol. Its IUPAC name is 2-[[4-(bromomethyl)phenoxy]methyl]thiophene.

Molecular Properties

Compound Name2-[[4-(bromomethyl)phenoxy]methyl]thiophene
PubChem CID43141545
Molecular FormulaC12H11BrOS
Molecular Weight283.19 g/mol
Exact Mass281.97
IUPAC Name2-[[4-(bromomethyl)phenoxy]methyl]thiophene
SMILESBrCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C12H11BrOS/c13-8-10-3-5-11(6-4-10)14-9-12-2-1-7-15-12/h1-7H,8-9H2
InChIKeyMKLABEHFZKMSEB-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[4-(bromomethyl)phenoxy]methyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856
2-[(4-phenylmethoxyphenyl)methyl]thiophene
CID 101069381
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
CID 4723300
[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827012
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
CID 17331804
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(bromomethyl)phenoxy]methyl]thiophene?
The IUPAC name of 2-[[4-(bromomethyl)phenoxy]methyl]thiophene (CID 43141545) is 2-[[4-(bromomethyl)phenoxy]methyl]thiophene.
What is the SMILES notation for 2-[[4-(bromomethyl)phenoxy]methyl]thiophene?
The canonical SMILES for 2-[[4-(bromomethyl)phenoxy]methyl]thiophene is BrCc1ccc(OCc2cccs2)cc1.
What is the InChIKey of 2-[[4-(bromomethyl)phenoxy]methyl]thiophene?
The InChIKey is MKLABEHFZKMSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS/c13-8-10-3-5-11(6-4-10)14-9-12-2-1-7-15-12/h1-7H,8-9H2.
What are the key properties of 2-[[4-(bromomethyl)phenoxy]methyl]thiophene?
2-[[4-(bromomethyl)phenoxy]methyl]thiophene has a molecular weight of 283.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(bromomethyl)phenoxy]methyl]thiophene is sourced from PubChem (CID 43141545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).