(4-prop-2-enoxyphenyl) 4-methoxybenzoate

C17H16O4 — CID 71332396

IUPAC(4-prop-2-enoxyphenyl) 4-methoxybenzoate
SMILESC=CCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16O4/c1-3-12-20-15-8-10-16(11-9-15)21-17(18)13-4-6-14(19-2)7-5-13/h3-11H,1,12H2,2H3
InChIKeyHFWQJDNXLXTRJU-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.48
Rot. Bonds6

About (4-prop-2-enoxyphenyl) 4-methoxybenzoate

(4-prop-2-enoxyphenyl) 4-methoxybenzoate (PubChem CID 71332396) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (4-prop-2-enoxyphenyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(4-prop-2-enoxyphenyl) 4-methoxybenzoate
PubChem CID71332396
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(4-prop-2-enoxyphenyl) 4-methoxybenzoate
SMILESC=CCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16O4/c1-3-12-20-15-8-10-16(11-9-15)21-17(18)13-4-6-14(19-2)7-5-13/h3-11H,1,12H2,2H3
InChIKeyHFWQJDNXLXTRJU-UHFFFAOYSA-N
XLogP3.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
[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-prop-2-enoxyphenyl) 4-methoxybenzoate?
The IUPAC name of (4-prop-2-enoxyphenyl) 4-methoxybenzoate (CID 71332396) is (4-prop-2-enoxyphenyl) 4-methoxybenzoate.
What is the SMILES notation for (4-prop-2-enoxyphenyl) 4-methoxybenzoate?
The canonical SMILES for (4-prop-2-enoxyphenyl) 4-methoxybenzoate is C=CCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-prop-2-enoxyphenyl) 4-methoxybenzoate?
The InChIKey is HFWQJDNXLXTRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-3-12-20-15-8-10-16(11-9-15)21-17(18)13-4-6-14(19-2)7-5-13/h3-11H,1,12H2,2H3.
What are the key properties of (4-prop-2-enoxyphenyl) 4-methoxybenzoate?
(4-prop-2-enoxyphenyl) 4-methoxybenzoate has a molecular weight of 284.31 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxyphenyl) 4-methoxybenzoate is sourced from PubChem (CID 71332396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).