4-phenoxyphenol;propanoic acid

C15H16O4 — CID 67658817

IUPAC4-phenoxyphenol;propanoic acid
SMILESCCC(=O)O.Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O2.C3H6O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-2-3(4)5/h1-9,13H;2H2,1H3,(H,4,5)
InChIKeyQFJWCLUJDCZORQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.67
Rot. Bonds3

About 4-phenoxyphenol;propanoic acid

4-phenoxyphenol;propanoic acid (PubChem CID 67658817) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-phenoxyphenol;propanoic acid.

Molecular Properties

Compound Name4-phenoxyphenol;propanoic acid
PubChem CID67658817
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-phenoxyphenol;propanoic acid
SMILESCCC(=O)O.Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O2.C3H6O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-2-3(4)5/h1-9,13H;2H2,1H3,(H,4,5)
InChIKeyQFJWCLUJDCZORQ-UHFFFAOYSA-N
XLogP3.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;hydride;phenoxybenzene;propanoic acid;dihydrate
CID 173246790
4-bis(4-phenoxyphenyl)phosphorylphenol
CID 22491596
ethane;phenoxybenzene;propane
CID 90923491
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
CID 143290824
phenoxybenzene;tetradecanoic acid
CID 175422794
benzene-1,2-diol;ethanol;propanoic acid
CID 174978263
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
CID 68628937
4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
CID 142817698
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107

Frequently Asked Questions

What is the IUPAC name of 4-phenoxyphenol;propanoic acid?
The IUPAC name of 4-phenoxyphenol;propanoic acid (CID 67658817) is 4-phenoxyphenol;propanoic acid.
What is the SMILES notation for 4-phenoxyphenol;propanoic acid?
The canonical SMILES for 4-phenoxyphenol;propanoic acid is CCC(=O)O.Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxyphenol;propanoic acid?
The InChIKey is QFJWCLUJDCZORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C3H6O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-2-3(4)5/h1-9,13H;2H2,1H3,(H,4,5).
What are the key properties of 4-phenoxyphenol;propanoic acid?
4-phenoxyphenol;propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxyphenol;propanoic acid is sourced from PubChem (CID 67658817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).