(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate

C15H14O5 — CID 167287233

IUPAC(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
SMILESCOc1ccc(OC(=O)COc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O5/c1-18-12-6-8-14(9-7-12)20-15(17)10-19-13-4-2-11(16)3-5-13/h2-9,16H,10H2,1H3
InChIKeyISQGURYWKCZZHU-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.39
Rot. Bonds5

About (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate

(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate (PubChem CID 167287233) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
PubChem CID167287233
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
SMILESCOc1ccc(OC(=O)COc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O5/c1-18-12-6-8-14(9-7-12)20-15(17)10-19-13-4-2-11(16)3-5-13/h2-9,16H,10H2,1H3
InChIKeyISQGURYWKCZZHU-UHFFFAOYSA-N
XLogP2.39
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
CID 1194399
benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
CID 19179593
2-methylpropyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
CID 17149601
bis(4-methoxyphenyl) propanedioate
CID 12000137
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate
CID 55750862
(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate
CID 8758809
(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate
CID 4927357

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate?
The IUPAC name of (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate (CID 167287233) is (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate.
What is the SMILES notation for (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate?
The canonical SMILES for (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate is COc1ccc(OC(=O)COc2ccc(O)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate?
The InChIKey is ISQGURYWKCZZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-18-12-6-8-14(9-7-12)20-15(17)10-19-13-4-2-11(16)3-5-13/h2-9,16H,10H2,1H3.
What are the key properties of (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate?
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate has a molecular weight of 274.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate is sourced from PubChem (CID 167287233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).