3-[4-(4-hydroxyphenyl)phenyl]propanoic acid

C15H14O3 — CID 822003

IUPAC3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18)
InChIKeyRPNLKEFLRMFPEN-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.08
Rot. Bonds4

About 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid

3-[4-(4-hydroxyphenyl)phenyl]propanoic acid (PubChem CID 822003) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
PubChem CID822003
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18)
InChIKeyRPNLKEFLRMFPEN-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
3-[4-(4-hydroxyphenyl)phenyl]propanoate
CID 6947121
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
3-(4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
CID 70212366
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid
CID 145067130
4-(2-carboxyethyl)phenolate
CID 101364536
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid (CID 822003) is 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid is O=C(O)CCc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid?
The InChIKey is RPNLKEFLRMFPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18).
What are the key properties of 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid?
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 822003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).