methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate

C19H16O4 — CID 141024991

IUPACmethyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate
SMILESC=Cc1ccc(C(=O)Oc2cc(C=C)ccc2C(=O)OC)cc1
InChIInChI=1S/C19H16O4/c1-4-13-6-9-15(10-7-13)18(20)23-17-12-14(5-2)8-11-16(17)19(21)22-3/h4-12H,1-2H2,3H3
InChIKeyPTDQRAQELIJSLW-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.98
Rot. Bonds5

About methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate

methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate (PubChem CID 141024991) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate
PubChem CID141024991
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Namemethyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate
SMILESC=Cc1ccc(C(=O)Oc2cc(C=C)ccc2C(=O)OC)cc1
InChIInChI=1S/C19H16O4/c1-4-13-6-9-15(10-7-13)18(20)23-17-12-14(5-2)8-11-16(17)19(21)22-3/h4-12H,1-2H2,3H3
InChIKeyPTDQRAQELIJSLW-UHFFFAOYSA-N
XLogP3.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-ethenyl-2-methylbenzoate
CID 10702422
(2-methylphenyl) 4-ethenylbenzoate
CID 101047505
ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate
CID 168861948
[3-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-ethenylbenzoate
CID 102244216
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
methyl 5-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoate
CID 21353450
(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
CID 17391291
methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
methyl 4-bromo-2-ethenoxybenzoate
CID 135381779
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
methyl 5-bromo-2-(4-fluorobenzoyl)oxybenzoate
CID 17339880

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate?
The IUPAC name of methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate (CID 141024991) is methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate.
What is the SMILES notation for methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate?
The canonical SMILES for methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate is C=Cc1ccc(C(=O)Oc2cc(C=C)ccc2C(=O)OC)cc1.
What is the InChIKey of methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate?
The InChIKey is PTDQRAQELIJSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-4-13-6-9-15(10-7-13)18(20)23-17-12-14(5-2)8-11-16(17)19(21)22-3/h4-12H,1-2H2,3H3.
What are the key properties of methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate?
methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate has a molecular weight of 308.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate is sourced from PubChem (CID 141024991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).