ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate

C17H14O5 — CID 18547359

IUPACethenyl [2-(4-methoxybenzoyl)phenyl] carbonate
SMILESC=COC(=O)Oc1ccccc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H14O5/c1-3-21-17(19)22-15-7-5-4-6-14(15)16(18)12-8-10-13(20-2)11-9-12/h3-11H,1H2,2H3
InChIKeyAKOWRQOJDJRLBQ-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.59
Rot. Bonds5

About ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate

ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate (PubChem CID 18547359) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate.

Molecular Properties

Compound Nameethenyl [2-(4-methoxybenzoyl)phenyl] carbonate
PubChem CID18547359
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Nameethenyl [2-(4-methoxybenzoyl)phenyl] carbonate
SMILESC=COC(=O)Oc1ccccc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H14O5/c1-3-21-17(19)22-15-7-5-4-6-14(15)16(18)12-8-10-13(20-2)11-9-12/h3-11H,1H2,2H3
InChIKeyAKOWRQOJDJRLBQ-UHFFFAOYSA-N
XLogP3.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906
(4-benzoylphenyl) ethenyl carbonate
CID 18547361
[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968498
[2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone
CID 14791047
ethenyl acetate;4-methoxybenzoic acid
CID 174932514
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
ethenyl 4-methoxybenzoate;propan-2-one
CID 70140612
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
[2-(4-nitrobenzoyl)phenyl] prop-2-enoate
CID 151855103

Frequently Asked Questions

What is the IUPAC name of ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate?
The IUPAC name of ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate (CID 18547359) is ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate.
What is the SMILES notation for ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate?
The canonical SMILES for ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate is C=COC(=O)Oc1ccccc1C(=O)c1ccc(OC)cc1.
What is the InChIKey of ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate?
The InChIKey is AKOWRQOJDJRLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-3-21-17(19)22-15-7-5-4-6-14(15)16(18)12-8-10-13(20-2)11-9-12/h3-11H,1H2,2H3.
What are the key properties of ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate?
ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate has a molecular weight of 298.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate is sourced from PubChem (CID 18547359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).