2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate

C25H28O7 — CID 58922054

IUPAC2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(OC(=O)Cc2ccc(OCC3(CC)COC3)cc2)cc1
InChIInChI=1S/C25H28O7/c1-3-23(26)30-14-13-29-20-9-11-22(12-10-20)32-24(27)15-19-5-7-21(8-6-19)31-18-25(4-2)16-28-17-25/h3,5-12H,1,4,13-18H2,2H3
InChIKeyGQEUYDVEOHYSQZ-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.75
Rot. Bonds12

About 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate

2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate (PubChem CID 58922054) has the molecular formula C25H28O7 and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate
PubChem CID58922054
Molecular FormulaC25H28O7
Molecular Weight440.49 g/mol
Exact Mass440.18
IUPAC Name2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(OC(=O)Cc2ccc(OCC3(CC)COC3)cc2)cc1
InChIInChI=1S/C25H28O7/c1-3-23(26)30-14-13-29-20-9-11-22(12-10-20)32-24(27)15-19-5-7-21(8-6-19)31-18-25(4-2)16-28-17-25/h3,5-12H,1,4,13-18H2,2H3
InChIKeyGQEUYDVEOHYSQZ-UHFFFAOYSA-N
XLogP3.75
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-prop-2-enoyloxyethoxy)phenyl] 4-[4-[(1-ethylcyclobutyl)methoxy]butoxy]benzoate;[4-(2-prop-2-enoyloxyethoxy)phenyl] 4-[(3-ethyloxetan-3-yl)methoxy]benzoate
CID 157156197
[4-[4-[(3-ethyloxetan-3-yl)methoxy]benzoyl]oxy-3-(5-prop-2-enoyloxypentanoyloxy)phenyl] 4-[(3-ethyloxetan-3-yl)methoxy]benzoate
CID 59702738
3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
CID 59767606
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate
CID 58862986
methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate
CID 71854632
2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59129637
formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 162101397
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
[4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(prop-2-enoyloxymethoxy)phenyl]acetyl]oxyphenyl]propan-2-yl]phenoxy]-2-oxoethyl]phenoxy]methyl prop-2-enoate;methane
CID 158221580
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012
[(3aR,6S,6aR)-6-[4-(2-prop-2-enoyloxyethoxycarbonyloxy)benzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4-(2-prop-2-enoyloxyethoxycarbonyloxy)benzoyl]oxybenzoate;[3-methyl-4-[2-[4-(2-prop-2-enoyloxyethoxycarbonyloxy)phenyl]acetyl]oxyphenyl] 4-(2-prop-2-enoyloxyethoxycarbonyloxy)benzoate
CID 160818122
4-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]benzoic acid
CID 58090307

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate (CID 58922054) is 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(OC(=O)Cc2ccc(OCC3(CC)COC3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate?
The InChIKey is GQEUYDVEOHYSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O7/c1-3-23(26)30-14-13-29-20-9-11-22(12-10-20)32-24(27)15-19-5-7-21(8-6-19)31-18-25(4-2)16-28-17-25/h3,5-12H,1,4,13-18H2,2H3.
What are the key properties of 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate?
2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate has a molecular weight of 440.49 g/mol, XLogP of 3.75, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 58922054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).