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

C19H20O6 — CID 8758809

IUPAC(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)Oc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H20O6/c1-4-18(20)13-5-7-14(8-6-13)24-12-19(21)25-17-10-15(22-2)9-16(11-17)23-3/h5-11H,4,12H2,1-3H3
InChIKeySSYVWBXZHMEAIT-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.28
Rot. Bonds8

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

(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate (PubChem CID 8758809) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate
PubChem CID8758809
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)Oc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H20O6/c1-4-18(20)13-5-7-14(8-6-13)24-12-19(21)25-17-10-15(22-2)9-16(11-17)23-3/h5-11H,4,12H2,1-3H3
InChIKeySSYVWBXZHMEAIT-UHFFFAOYSA-N
XLogP3.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-methylphenyl) 2-(4-propanoylphenoxy)acetate
CID 78776923
methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate
CID 7751823
(4-propanoylphenyl) 2-(3-pentoxyphenoxy)acetate
CID 4733287
(4-propanoylphenyl) propanoate
CID 19170728
(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 8753296
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
(4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 26691631
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
1-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]propan-1-one
CID 139662711
1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one
CID 158571654
1-(4-propanoylphenoxy)pentan-2-one
CID 62043613
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate?
The IUPAC name of (3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate (CID 8758809) is (3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for (3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for (3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)Oc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of (3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate?
The InChIKey is SSYVWBXZHMEAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-4-18(20)13-5-7-14(8-6-13)24-12-19(21)25-17-10-15(22-2)9-16(11-17)23-3/h5-11H,4,12H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate?
(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate has a molecular weight of 344.36 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 8758809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).