(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate

C18H20O4 — CID 19221084

IUPAC(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
SMILESCCOc1ccccc1OC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C18H20O4/c1-3-21-16-6-4-5-7-17(16)22-18(19)13-10-14-8-11-15(20-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyFGHZFMYNVONKRV-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.63
Rot. Bonds7

About (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate

(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate (PubChem CID 19221084) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
PubChem CID19221084
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
SMILESCCOc1ccccc1OC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C18H20O4/c1-3-21-16-6-4-5-7-17(16)22-18(19)13-10-14-8-11-15(20-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyFGHZFMYNVONKRV-UHFFFAOYSA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.63
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

(4-cyano-2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 8799792
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
(4-chlorophenyl) 3-(4-ethoxy-3-methoxyphenyl)propanoate
CID 19221915
(2-methoxyphenyl) 3-(4-cyanophenyl)propanoate
CID 41484194
ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate
CID 19886522
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115533560
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate?
The IUPAC name of (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate (CID 19221084) is (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate is CCOc1ccccc1OC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate?
The InChIKey is FGHZFMYNVONKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-21-16-6-4-5-7-17(16)22-18(19)13-10-14-8-11-15(20-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3.
What are the key properties of (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate?
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate has a molecular weight of 300.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 19221084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).