(4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate

C16H16O4 — CID 578112

IUPAC(4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate
SMILESCOc1ccc(COC(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C16H16O4/c1-19-14-9-7-12(8-10-14)11-20-16(18)15(17)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3
InChIKeyIYVMXKCVTJDFAQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.47
Rot. Bonds5

About (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate

(4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate (PubChem CID 578112) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate
PubChem CID578112
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate
SMILESCOc1ccc(COC(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C16H16O4/c1-19-14-9-7-12(8-10-14)11-20-16(18)15(17)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3
InChIKeyIYVMXKCVTJDFAQ-UHFFFAOYSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate (CID 578112) is (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate is COc1ccc(COC(=O)C(O)c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate?
The InChIKey is IYVMXKCVTJDFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-14-9-7-12(8-10-14)11-20-16(18)15(17)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate?
(4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate has a molecular weight of 272.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 578112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).