2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid

C14H10BrFO3 — CID 67078978

IUPAC2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid
SMILESO=C(O)C(Oc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrFO3/c15-10-3-1-9(2-4-10)13(14(17)18)19-12-7-5-11(16)6-8-12/h1-8,13H,(H,17,18)
InChIKeyGLVWXVMCYQESNK-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid

2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid (PubChem CID 67078978) has the molecular formula C14H10BrFO3 and a molecular weight of 325.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid
PubChem CID67078978
Molecular FormulaC14H10BrFO3
Molecular Weight325.13 g/mol
Exact Mass323.98
IUPAC Name2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid
SMILESO=C(O)C(Oc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrFO3/c15-10-3-1-9(2-4-10)13(14(17)18)19-12-7-5-11(16)6-8-12/h1-8,13H,(H,17,18)
InChIKeyGLVWXVMCYQESNK-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
(2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid
CID 124505606
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 92538260
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-tert-butylphenoxy)-2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]acetic acid
CID 70618224
2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid
CID 70618231
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid (CID 67078978) is 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid is O=C(O)C(Oc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid?
The InChIKey is GLVWXVMCYQESNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3/c15-10-3-1-9(2-4-10)13(14(17)18)19-12-7-5-11(16)6-8-12/h1-8,13H,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid?
2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid has a molecular weight of 325.13 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid is sourced from PubChem (CID 67078978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).