(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate

C17H18O5 — CID 8753262

IUPAC(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H18O5/c1-19-13-6-4-12(5-7-13)8-17(18)22-16-10-14(20-2)9-15(11-16)21-3/h4-7,9-11H,8H2,1-3H3
InChIKeyUHPONGDTTGGVLT-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.86
Rot. Bonds6

About (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate

(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate (PubChem CID 8753262) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
PubChem CID8753262
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H18O5/c1-19-13-6-4-12(5-7-13)8-17(18)22-16-10-14(20-2)9-15(11-16)21-3/h4-7,9-11H,8H2,1-3H3
InChIKeyUHPONGDTTGGVLT-UHFFFAOYSA-N
XLogP2.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
(4-formylphenyl) 2-(4-methoxyphenyl)acetate
CID 39199740
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 4185935
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 27846226
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
(1-methylbenzimidazol-5-yl) 2-(4-methoxyphenyl)acetate
CID 90538160
prop-1-en-2-yl 2-(4-methoxyphenyl)acetate
CID 89069215
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736
bis(4-methoxyphenyl) propanedioate
CID 12000137
(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
CID 167274281

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate?
The IUPAC name of (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate (CID 8753262) is (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)Oc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate?
The InChIKey is UHPONGDTTGGVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-13-6-4-12(5-7-13)8-17(18)22-16-10-14(20-2)9-15(11-16)21-3/h4-7,9-11H,8H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate?
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate has a molecular weight of 302.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 8753262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).