2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid

C12H8BrClO4 — CID 61379285

IUPAC2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H8BrClO4/c13-11-4-2-8(18-11)6-17-10-3-1-7(14)5-9(10)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeySIQXOIPZQKDNJS-UHFFFAOYSA-N
MW331.55 g/mol
LogP3.97
Rot. Bonds4

About 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid

2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid (PubChem CID 61379285) has the molecular formula C12H8BrClO4 and a molecular weight of 331.55 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid
PubChem CID61379285
Molecular FormulaC12H8BrClO4
Molecular Weight331.55 g/mol
Exact Mass329.93
IUPAC Name2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H8BrClO4/c13-11-4-2-8(18-11)6-17-10-3-1-7(14)5-9(10)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeySIQXOIPZQKDNJS-UHFFFAOYSA-N
XLogP3.97
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid
CID 113281408
2-[(5-bromofuran-2-yl)methoxy]benzoic acid
CID 43143148
3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
CID 81445559
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
2-[(5-bromofuran-2-yl)methoxy]-4-chlorobenzonitrile
CID 113277284
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 65317579
5-chloro-2-propoxybenzoic acid;tungsten
CID 58176462
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid?
The IUPAC name of 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid (CID 61379285) is 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid is O=C(O)c1cc(Cl)ccc1OCc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid?
The InChIKey is SIQXOIPZQKDNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO4/c13-11-4-2-8(18-11)6-17-10-3-1-7(14)5-9(10)12(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid?
2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid has a molecular weight of 331.55 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid is sourced from PubChem (CID 61379285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).