3-[4-(4-hydroxyphenyl)phenyl]propanoate

C15H13O3- — CID 6947121

IUPAC3-[4-(4-hydroxyphenyl)phenyl]propanoate
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)/p-1
InChIKeyRPNLKEFLRMFPEN-UHFFFAOYSA-M
MW241.27 g/mol
LogP1.74
Rot. Bonds4

About 3-[4-(4-hydroxyphenyl)phenyl]propanoate

3-[4-(4-hydroxyphenyl)phenyl]propanoate (PubChem CID 6947121) has the molecular formula C15H13O3- and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)phenyl]propanoate
PubChem CID6947121
Molecular FormulaC15H13O3-
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name3-[4-(4-hydroxyphenyl)phenyl]propanoate
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)/p-1
InChIKeyRPNLKEFLRMFPEN-UHFFFAOYSA-M
XLogP1.74
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
disodium;bis(3-(4-phenylphenyl)propanoate);hydrate
CID 159268248
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
sodium 15-(4-hydroxyphenyl)pentadecanoate
CID 23710314
sodium 9-(4-hydroxyphenyl)nonanoate
CID 23710359
dibutyltin(2+);bis(2-(4-hydroxyphenyl)acetic acid);bis(3-(4-hydroxyphenyl)propanoate)
CID 67922455
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
3-(4-nitrophenyl)propanoate
CID 6923582
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)phenyl]propanoate?
The IUPAC name of 3-[4-(4-hydroxyphenyl)phenyl]propanoate (CID 6947121) is 3-[4-(4-hydroxyphenyl)phenyl]propanoate.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)phenyl]propanoate?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)phenyl]propanoate is O=C([O-])CCc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)phenyl]propanoate?
The InChIKey is RPNLKEFLRMFPEN-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-[4-(4-hydroxyphenyl)phenyl]propanoate?
3-[4-(4-hydroxyphenyl)phenyl]propanoate has a molecular weight of 241.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)phenyl]propanoate is sourced from PubChem (CID 6947121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).