3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid

C15H13BrO3 — CID 2924532

IUPAC3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrO3/c16-11-6-7-14(17)13(8-11)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,18,19)
InChIKeyFBEXBGDUKSAFSF-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.76
Rot. Bonds4

About 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid

3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid (PubChem CID 2924532) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid
PubChem CID2924532
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrO3/c16-11-6-7-14(17)13(8-11)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,18,19)
InChIKeyFBEXBGDUKSAFSF-UHFFFAOYSA-N
XLogP3.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid (CID 2924532) is 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)c1cc(Br)ccc1O.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid?
The InChIKey is FBEXBGDUKSAFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c16-11-6-7-14(17)13(8-11)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,18,19).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid?
3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid has a molecular weight of 321.17 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoic acid is sourced from PubChem (CID 2924532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).