methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate

C20H18O4 — CID 130411300

IUPACmethyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate
SMILESC=Cc1cccc(C(=O)OCc2ccc(C(=O)OC)c(C=C)c2)c1
InChIInChI=1S/C20H18O4/c1-4-14-7-6-8-17(11-14)19(21)24-13-15-9-10-18(20(22)23-3)16(5-2)12-15/h4-12H,1-2,13H2,3H3
InChIKeyHOGSMDOWHJQCCE-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.12
Rot. Bonds6

About methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate

methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate (PubChem CID 130411300) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate
PubChem CID130411300
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Namemethyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate
SMILESC=Cc1cccc(C(=O)OCc2ccc(C(=O)OC)c(C=C)c2)c1
InChIInChI=1S/C20H18O4/c1-4-14-7-6-8-17(11-14)19(21)24-13-15-9-10-18(20(22)23-3)16(5-2)12-15/h4-12H,1-2,13H2,3H3
InChIKeyHOGSMDOWHJQCCE-UHFFFAOYSA-N
XLogP4.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate?
The IUPAC name of methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate (CID 130411300) is methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate.
What is the SMILES notation for methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate?
The canonical SMILES for methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate is C=Cc1cccc(C(=O)OCc2ccc(C(=O)OC)c(C=C)c2)c1.
What is the InChIKey of methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate?
The InChIKey is HOGSMDOWHJQCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-4-14-7-6-8-17(11-14)19(21)24-13-15-9-10-18(20(22)23-3)16(5-2)12-15/h4-12H,1-2,13H2,3H3.
What are the key properties of methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate?
methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate has a molecular weight of 322.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate is sourced from PubChem (CID 130411300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).