3-bromo-2-[(3-ethylphenoxy)methyl]thiophene

C13H13BrOS — CID 63457538

IUPAC3-bromo-2-[(3-ethylphenoxy)methyl]thiophene
SMILESCCc1cccc(OCc2sccc2Br)c1
InChIInChI=1S/C13H13BrOS/c1-2-10-4-3-5-11(8-10)15-9-13-12(14)6-7-16-13/h3-8H,2,9H2,1H3
InChIKeyFXNAXRSCIYJPNZ-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.65
Rot. Bonds4

About 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene

3-bromo-2-[(3-ethylphenoxy)methyl]thiophene (PubChem CID 63457538) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[(3-ethylphenoxy)methyl]thiophene
PubChem CID63457538
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name3-bromo-2-[(3-ethylphenoxy)methyl]thiophene
SMILESCCc1cccc(OCc2sccc2Br)c1
InChIInChI=1S/C13H13BrOS/c1-2-10-4-3-5-11(8-10)15-9-13-12(14)6-7-16-13/h3-8H,2,9H2,1H3
InChIKeyFXNAXRSCIYJPNZ-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-[(3-ethylphenoxy)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

3-bromo-2-[(3-ethoxyphenoxy)methyl]thiophene
CID 55060850
(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol
CID 63365571
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
CID 104707478
2-bromo-1-[(3-ethylphenoxy)methyl]-4-nitrobenzene
CID 64764185
ethyl 4-[(3-bromothiophen-2-yl)methoxy]benzoate
CID 65019528
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62450130
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613704
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene?
The IUPAC name of 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene (CID 63457538) is 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene?
The canonical SMILES for 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene is CCc1cccc(OCc2sccc2Br)c1.
What is the InChIKey of 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene?
The InChIKey is FXNAXRSCIYJPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-2-10-4-3-5-11(8-10)15-9-13-12(14)6-7-16-13/h3-8H,2,9H2,1H3.
What are the key properties of 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene?
3-bromo-2-[(3-ethylphenoxy)methyl]thiophene has a molecular weight of 297.22 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(3-ethylphenoxy)methyl]thiophene is sourced from PubChem (CID 63457538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).