[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate

C24H20O6 — CID 18368747

IUPAC[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H20O6/c1-3-16-28-20-8-4-17(5-9-20)23(25)29-21-10-6-18(7-11-21)24(26)30-22-14-12-19(27-2)13-15-22/h3-15H,1,16H2,2H3
InChIKeyGLWANZSYKFBFCS-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.70
Rot. Bonds8

About [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate

[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate (PubChem CID 18368747) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
PubChem CID18368747
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H20O6/c1-3-16-28-20-8-4-17(5-9-20)23(25)29-21-10-6-18(7-11-21)24(26)30-22-14-12-19(27-2)13-15-22/h3-15H,1,16H2,2H3
InChIKeyGLWANZSYKFBFCS-UHFFFAOYSA-N
XLogP4.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate 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-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
carbon dioxide;(4-methylphenyl) 4-prop-2-enoxybenzoate
CID 123884420
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
4-oxo-4-[4-(4-prop-2-enoxybenzoyl)oxyphenoxy]butanoic acid
CID 19348973
(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
CID 139854089
[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-prop-2-enoxybenzoate
CID 129081661
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59668546
2-methylbutyl 4-[4-[4-(4-prop-2-enoxyphenyl)benzoyl]oxyphenyl]benzoate
CID 19853401
(4-methoxyphenyl) 4-pentoxybenzoate
CID 23011479

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate?
The IUPAC name of [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate (CID 18368747) is [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate.
What is the SMILES notation for [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate?
The canonical SMILES for [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate is C=CCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate?
The InChIKey is GLWANZSYKFBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-3-16-28-20-8-4-17(5-9-20)23(25)29-21-10-6-18(7-11-21)24(26)30-22-14-12-19(27-2)13-15-22/h3-15H,1,16H2,2H3.
What are the key properties of [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate?
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate has a molecular weight of 404.42 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate is sourced from PubChem (CID 18368747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).