(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

C20H22O5 — CID 18284889

IUPAC(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)Oc2ccc(OCC)cc2)c(OC)c1
InChIInChI=1S/C20H22O5/c1-4-6-15-7-12-18(19(13-15)22-3)24-14-20(21)25-17-10-8-16(9-11-17)23-5-2/h4,6-13H,5,14H2,1-3H3/b6-4+
InChIKeyJGSKKYHSRORZDA-GQCTYLIASA-N
MW342.39 g/mol
LogP4.11
Rot. Bonds8

About (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (PubChem CID 18284889) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Name(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
PubChem CID18284889
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)Oc2ccc(OCC)cc2)c(OC)c1
InChIInChI=1S/C20H22O5/c1-4-6-15-7-12-18(19(13-15)22-3)24-14-20(21)25-17-10-8-16(9-11-17)23-5-2/h4,6-13H,5,14H2,1-3H3/b6-4+
InChIKeyJGSKKYHSRORZDA-GQCTYLIASA-N
XLogP4.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.11
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-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8763804
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 55355312
1-cyanoethyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 47004295
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 30034039
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
CID 46865359
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907755
ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 36860916
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 19177569

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The IUPAC name of (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (CID 18284889) is (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.
What is the SMILES notation for (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The canonical SMILES for (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is C/C=C/c1ccc(OCC(=O)Oc2ccc(OCC)cc2)c(OC)c1.
What is the InChIKey of (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The InChIKey is JGSKKYHSRORZDA-GQCTYLIASA-N. The full InChI is InChI=1S/C20H22O5/c1-4-6-15-7-12-18(19(13-15)22-3)24-14-20(21)25-17-10-8-16(9-11-17)23-5-2/h4,6-13H,5,14H2,1-3H3/b6-4+.
What are the key properties of (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate has a molecular weight of 342.39 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 18284889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).