2-bromo-6-fluoro-3-phenylmethoxybenzoic acid

C14H10BrFO3 — CID 155293763

IUPAC2-bromo-6-fluoro-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1c(F)ccc(OCc2ccccc2)c1Br
InChIInChI=1S/C14H10BrFO3/c15-13-11(7-6-10(16)12(13)14(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyYHDRNKWPJWVQGB-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.87
Rot. Bonds4

About 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid

2-bromo-6-fluoro-3-phenylmethoxybenzoic acid (PubChem CID 155293763) has the molecular formula C14H10BrFO3 and a molecular weight of 325.13 g/mol. Its IUPAC name is 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name2-bromo-6-fluoro-3-phenylmethoxybenzoic acid
PubChem CID155293763
Molecular FormulaC14H10BrFO3
Molecular Weight325.13 g/mol
Exact Mass323.98
IUPAC Name2-bromo-6-fluoro-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1c(F)ccc(OCc2ccccc2)c1Br
InChIInChI=1S/C14H10BrFO3/c15-13-11(7-6-10(16)12(13)14(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyYHDRNKWPJWVQGB-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

6-bromo-2-chloro-3-phenylmethoxybenzoic acid
CID 146035320
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid
CID 83215251
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2-(2,3-difluoro-6-phenylmethoxyphenyl)acetamide
CID 91259658
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726
1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone
CID 157299083
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid?
The IUPAC name of 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid (CID 155293763) is 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid?
The canonical SMILES for 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid is O=C(O)c1c(F)ccc(OCc2ccccc2)c1Br.
What is the InChIKey of 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid?
The InChIKey is YHDRNKWPJWVQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3/c15-13-11(7-6-10(16)12(13)14(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid?
2-bromo-6-fluoro-3-phenylmethoxybenzoic 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 2-bromo-6-fluoro-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 155293763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).