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

C16H16O4 — CID 914131

IUPAC(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16O4/c1-18-13-5-3-12(4-6-13)11-16(17)20-15-9-7-14(19-2)8-10-15/h3-10H,11H2,1-2H3
InChIKeyZHVPUTXUMJZRIA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.85
Rot. Bonds5

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

(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate (PubChem CID 914131) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
PubChem CID914131
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16O4/c1-18-13-5-3-12(4-6-13)11-16(17)20-15-9-7-14(19-2)8-10-15/h3-10H,11H2,1-2H3
InChIKeyZHVPUTXUMJZRIA-UHFFFAOYSA-N
XLogP2.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
(4-formylphenyl) 2-(4-methoxyphenyl)acetate
CID 39199740
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 4185935
bis(4-methoxyphenyl) propanedioate
CID 12000137
(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
CID 167274281
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
prop-1-en-2-yl 2-(4-methoxyphenyl)acetate
CID 89069215
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736
cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate
CID 130473799
[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate
CID 149336494

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-(4-methoxyphenyl)acetate?
The IUPAC name of (4-methoxyphenyl) 2-(4-methoxyphenyl)acetate (CID 914131) is (4-methoxyphenyl) 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (4-methoxyphenyl) 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (4-methoxyphenyl) 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-(4-methoxyphenyl)acetate?
The InChIKey is ZHVPUTXUMJZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-13-5-3-12(4-6-13)11-16(17)20-15-9-7-14(19-2)8-10-15/h3-10H,11H2,1-2H3.
What are the key properties of (4-methoxyphenyl) 2-(4-methoxyphenyl)acetate?
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate has a molecular weight of 272.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 914131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).