4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid

C14H10BrFO3 — CID 113437320

IUPAC4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(OCc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H10BrFO3/c15-10-3-1-2-9(6-10)8-19-11-4-5-12(14(17)18)13(16)7-11/h1-7H,8H2,(H,17,18)
InChIKeyFVUDGGGNGUNCOT-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.87
Rot. Bonds4

About 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid

4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid (PubChem CID 113437320) has the molecular formula C14H10BrFO3 and a molecular weight of 325.13 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
PubChem CID113437320
Molecular FormulaC14H10BrFO3
Molecular Weight325.13 g/mol
Exact Mass323.98
IUPAC Name4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(OCc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H10BrFO3/c15-10-3-1-2-9(6-10)8-19-11-4-5-12(14(17)18)13(16)7-11/h1-7H,8H2,(H,17,18)
InChIKeyFVUDGGGNGUNCOT-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-fluorobenzoic acid
CID 22314504
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698528
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
4-[(3-cyanophenoxy)methyl]-2-fluorobenzoic acid
CID 106698261
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzoic acid
CID 115962071
methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 170640428

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid (CID 113437320) is 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid is O=C(O)c1ccc(OCc2cccc(Br)c2)cc1F.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid?
The InChIKey is FVUDGGGNGUNCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3/c15-10-3-1-2-9(6-10)8-19-11-4-5-12(14(17)18)13(16)7-11/h1-7H,8H2,(H,17,18).
What are the key properties of 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid?
4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid has a molecular weight of 325.13 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid is sourced from PubChem (CID 113437320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).