[4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate

C19H16O5 — CID 153069318

IUPAC[4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate
SMILESC=CC(=O)OC(=C)Oc1ccc(OC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H16O5/c1-4-18(20)23-14(3)22-16-9-11-17(12-10-16)24-19(21)15-7-5-13(2)6-8-15/h4-12H,1,3H2,2H3
InChIKeyVLAIFEYBDVSAAA-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.79
Rot. Bonds6

About [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate

[4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate (PubChem CID 153069318) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate
PubChem CID153069318
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name[4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate
SMILESC=CC(=O)OC(=C)Oc1ccc(OC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H16O5/c1-4-18(20)23-14(3)22-16-9-11-17(12-10-16)24-19(21)15-7-5-13(2)6-8-15/h4-12H,1,3H2,2H3
InChIKeyVLAIFEYBDVSAAA-UHFFFAOYSA-N
XLogP3.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
[4-[4-[4-(3-prop-2-enoyloxypropoxycarbonyloxy)benzoyl]oxybenzoyl]oxyphenyl] 4-methylbenzoate
CID 58671990
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
[4-[2-[4-(4-methylbenzoyl)oxyphenyl]ethynyl]phenyl] 4-methylbenzoate
CID 170244704
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
(4-methylphenyl) 4-(4-prop-2-enoyloxybutoxy)benzoate;methyl 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158691914
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
carbon dioxide;(4-methylphenyl) 4-prop-2-enoxybenzoate
CID 123884420
[4-(methylideneamino)phenyl] 4-methylbenzoate
CID 59871820

Frequently Asked Questions

What is the IUPAC name of [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate?
The IUPAC name of [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate (CID 153069318) is [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate.
What is the SMILES notation for [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate?
The canonical SMILES for [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate is C=CC(=O)OC(=C)Oc1ccc(OC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate?
The InChIKey is VLAIFEYBDVSAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-4-18(20)23-14(3)22-16-9-11-17(12-10-16)24-19(21)15-7-5-13(2)6-8-15/h4-12H,1,3H2,2H3.
What are the key properties of [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate?
[4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate has a molecular weight of 324.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-prop-2-enoyloxyethenoxy)phenyl] 4-methylbenzoate is sourced from PubChem (CID 153069318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).