phenyl 2-(4-hydroxyphenoxy)propanoate

C15H14O4 — CID 12919933

IUPACphenyl 2-(4-hydroxyphenoxy)propanoate
SMILESCC(Oc1ccc(O)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H14O4/c1-11(18-14-9-7-12(16)8-10-14)15(17)19-13-5-3-2-4-6-13/h2-11,16H,1H3
InChIKeyMMWBTIPLKJLZTG-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.77
Rot. Bonds4

About phenyl 2-(4-hydroxyphenoxy)propanoate

phenyl 2-(4-hydroxyphenoxy)propanoate (PubChem CID 12919933) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is phenyl 2-(4-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Namephenyl 2-(4-hydroxyphenoxy)propanoate
PubChem CID12919933
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namephenyl 2-(4-hydroxyphenoxy)propanoate
SMILESCC(Oc1ccc(O)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H14O4/c1-11(18-14-9-7-12(16)8-10-14)15(17)19-13-5-3-2-4-6-13/h2-11,16H,1H3
InChIKeyMMWBTIPLKJLZTG-UHFFFAOYSA-N
XLogP2.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-nitrophenoxy)phenyl] 2-(4-phenoxyphenoxy)propanoate
CID 14498576
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
phenyl (2S)-2-methoxypropanoate
CID 12621314
(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate
CID 46820145
phenyl (2R)-2-(2-methoxyphenoxy)propanoate
CID 134965556
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 126650060
1,3-benzodioxol-5-yl (2R)-2-phenoxypropanoate
CID 8766447
methoxycarbonyl 2-phenoxypropanoate
CID 174370299
phenyl 2-phenylmethoxypropanoate
CID 15731819
naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(4-hydroxyphenoxy)propanoate?
The IUPAC name of phenyl 2-(4-hydroxyphenoxy)propanoate (CID 12919933) is phenyl 2-(4-hydroxyphenoxy)propanoate.
What is the SMILES notation for phenyl 2-(4-hydroxyphenoxy)propanoate?
The canonical SMILES for phenyl 2-(4-hydroxyphenoxy)propanoate is CC(Oc1ccc(O)cc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(4-hydroxyphenoxy)propanoate?
The InChIKey is MMWBTIPLKJLZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-11(18-14-9-7-12(16)8-10-14)15(17)19-13-5-3-2-4-6-13/h2-11,16H,1H3.
What are the key properties of phenyl 2-(4-hydroxyphenoxy)propanoate?
phenyl 2-(4-hydroxyphenoxy)propanoate has a molecular weight of 258.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-hydroxyphenoxy)propanoate is sourced from PubChem (CID 12919933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).