(4-methoxyphenyl)methyl 2-phenylacetate

C16H16O3 — CID 7599

IUPAC(4-methoxyphenyl)methyl 2-phenylacetate
SMILESCOc1ccc(COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyVCYWCSZLXMMLLE-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.98
Rot. Bonds5

About (4-methoxyphenyl)methyl 2-phenylacetate

(4-methoxyphenyl)methyl 2-phenylacetate (PubChem CID 7599) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-phenylacetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-phenylacetate
PubChem CID7599
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(4-methoxyphenyl)methyl 2-phenylacetate
SMILESCOc1ccc(COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyVCYWCSZLXMMLLE-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-phenylacetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-phenylacetate (CID 7599) is (4-methoxyphenyl)methyl 2-phenylacetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-phenylacetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-phenylacetate is COc1ccc(COC(=O)Cc2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-phenylacetate?
The InChIKey is VCYWCSZLXMMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-phenylacetate?
(4-methoxyphenyl)methyl 2-phenylacetate has a molecular weight of 256.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-phenylacetate is sourced from PubChem (CID 7599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).