5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid

C14H9BrClFO3 — CID 106500714

IUPAC5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
SMILESO=C(O)c1cc(OCc2ccc(Br)cc2F)ccc1Cl
InChIInChI=1S/C14H9BrClFO3/c15-9-2-1-8(13(17)5-9)7-20-10-3-4-12(16)11(6-10)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyDGTOJCKXAVBSPB-UHFFFAOYSA-N
MW359.58 g/mol
LogP4.52
Rot. Bonds4

About 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid

5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid (PubChem CID 106500714) has the molecular formula C14H9BrClFO3 and a molecular weight of 359.58 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
PubChem CID106500714
Molecular FormulaC14H9BrClFO3
Molecular Weight359.58 g/mol
Exact Mass357.94
IUPAC Name5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
SMILESO=C(O)c1cc(OCc2ccc(Br)cc2F)ccc1Cl
InChIInChI=1S/C14H9BrClFO3/c15-9-2-1-8(13(17)5-9)7-20-10-3-4-12(16)11(6-10)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyDGTOJCKXAVBSPB-UHFFFAOYSA-N
XLogP4.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
2-amino-5-[(4-bromo-2-chlorophenyl)methoxy]benzoic acid
CID 107077061
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
4-[(4-chloro-3-ethylphenoxy)methyl]-3-fluorobenzoic acid
CID 63530976
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
3,5-dichloro-4-[[2-chloro-5-[(4-chloro-2-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 78319503
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzoic acid
CID 63879027
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
CID 115495326
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid (CID 106500714) is 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid is O=C(O)c1cc(OCc2ccc(Br)cc2F)ccc1Cl.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid?
The InChIKey is DGTOJCKXAVBSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO3/c15-9-2-1-8(13(17)5-9)7-20-10-3-4-12(16)11(6-10)14(18)19/h1-6H,7H2,(H,18,19).
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid?
5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid has a molecular weight of 359.58 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid is sourced from PubChem (CID 106500714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).