4-bromo-2-[(3-chlorophenoxy)methyl]thiophene

C11H8BrClOS — CID 63456534

IUPAC4-bromo-2-[(3-chlorophenoxy)methyl]thiophene
SMILESClc1cccc(OCc2cc(Br)cs2)c1
InChIInChI=1S/C11H8BrClOS/c12-8-4-11(15-7-8)6-14-10-3-1-2-9(13)5-10/h1-5,7H,6H2
InChIKeyXLZCPIABWSYCSU-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.74
Rot. Bonds3

About 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene

4-bromo-2-[(3-chlorophenoxy)methyl]thiophene (PubChem CID 63456534) has the molecular formula C11H8BrClOS and a molecular weight of 303.61 g/mol. Its IUPAC name is 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene.

Molecular Properties

Compound Name4-bromo-2-[(3-chlorophenoxy)methyl]thiophene
PubChem CID63456534
Molecular FormulaC11H8BrClOS
Molecular Weight303.61 g/mol
Exact Mass301.92
IUPAC Name4-bromo-2-[(3-chlorophenoxy)methyl]thiophene
SMILESClc1cccc(OCc2cc(Br)cs2)c1
InChIInChI=1S/C11H8BrClOS/c12-8-4-11(15-7-8)6-14-10-3-1-2-9(13)5-10/h1-5,7H,6H2
InChIKeyXLZCPIABWSYCSU-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63056052
4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
CID 63457355
5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
CID 117217070
1-(bromomethoxy)-3-chlorobenzene
CID 22961199
2-[(4-bromothiophen-2-yl)methoxy]-4-chlorobenzonitrile
CID 114322719
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711
6-[(4-bromothiophen-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095837
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322949
3-[(3-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170911
3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol
CID 117181536
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene?
The IUPAC name of 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene (CID 63456534) is 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene.
What is the SMILES notation for 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene?
The canonical SMILES for 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene is Clc1cccc(OCc2cc(Br)cs2)c1.
What is the InChIKey of 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene?
The InChIKey is XLZCPIABWSYCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClOS/c12-8-4-11(15-7-8)6-14-10-3-1-2-9(13)5-10/h1-5,7H,6H2.
What are the key properties of 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene?
4-bromo-2-[(3-chlorophenoxy)methyl]thiophene has a molecular weight of 303.61 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-chlorophenoxy)methyl]thiophene is sourced from PubChem (CID 63456534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).