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

C15H14O3 — CID 3494503

IUPAC3-(2-hydroxyphenyl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccccc1O
InChIInChI=1S/C15H14O3/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h1-9,13,16H,10H2,(H,17,18)
InChIKeyMTZAQHDJUHDYAN-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.00
Rot. Bonds4

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

3-(2-hydroxyphenyl)-3-phenylpropanoic acid (PubChem CID 3494503) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-3-phenylpropanoic acid
PubChem CID3494503
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-(2-hydroxyphenyl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccccc1O
InChIInChI=1S/C15H14O3/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h1-9,13,16H,10H2,(H,17,18)
InChIKeyMTZAQHDJUHDYAN-UHFFFAOYSA-N
XLogP3.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-3-phenylpropanoic acid?
The IUPAC name of 3-(2-hydroxyphenyl)-3-phenylpropanoic acid (CID 3494503) is 3-(2-hydroxyphenyl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxyphenyl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(2-hydroxyphenyl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-3-phenylpropanoic acid?
The InChIKey is MTZAQHDJUHDYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h1-9,13,16H,10H2,(H,17,18).
What are the key properties of 3-(2-hydroxyphenyl)-3-phenylpropanoic acid?
3-(2-hydroxyphenyl)-3-phenylpropanoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-3-phenylpropanoic acid is sourced from PubChem (CID 3494503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).