4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid

C12H8BrFO3S — CID 66437354

IUPAC4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2ccc(F)cc2Br)cs1
InChIInChI=1S/C12H8BrFO3S/c13-10-3-8(14)2-1-7(10)5-17-9-4-11(12(15)16)18-6-9/h1-4,6H,5H2,(H,15,16)
InChIKeyXCSWXBPSGHFQFK-UHFFFAOYSA-N
MW331.16 g/mol
LogP3.93
Rot. Bonds4

About 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid

4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66437354) has the molecular formula C12H8BrFO3S and a molecular weight of 331.16 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID66437354
Molecular FormulaC12H8BrFO3S
Molecular Weight331.16 g/mol
Exact Mass329.94
IUPAC Name4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2ccc(F)cc2Br)cs1
InChIInChI=1S/C12H8BrFO3S/c13-10-3-8(14)2-1-7(10)5-17-9-4-11(12(15)16)18-6-9/h1-4,6H,5H2,(H,15,16)
InChIKeyXCSWXBPSGHFQFK-UHFFFAOYSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid 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

4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 103046291
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793811
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63850652
4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66436693
3-bromo-4-[(3,5-difluorophenoxy)methyl]benzoic acid
CID 102765519
5-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379973
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate
CID 60522492
4-[(2-bromo-4-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673708
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid (CID 66437354) is 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1cc(OCc2ccc(F)cc2Br)cs1.
What is the InChIKey of 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is XCSWXBPSGHFQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO3S/c13-10-3-8(14)2-1-7(10)5-17-9-4-11(12(15)16)18-6-9/h1-4,6H,5H2,(H,15,16).
What are the key properties of 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid?
4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 331.16 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66437354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).