(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate

C19H18O5 — CID 122625881

IUPAC(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
SMILESC=Cc1ccc(COC(=O)c2ccc(OC(=O)OCC)cc2)cc1
InChIInChI=1S/C19H18O5/c1-3-14-5-7-15(8-6-14)13-23-18(20)16-9-11-17(12-10-16)24-19(21)22-4-2/h3,5-12H,1,4,13H2,2H3
InChIKeyCDYHEULPVXNEAN-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.22
Rot. Bonds6

About (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate

(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate (PubChem CID 122625881) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
PubChem CID122625881
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
SMILESC=Cc1ccc(COC(=O)c2ccc(OC(=O)OCC)cc2)cc1
InChIInChI=1S/C19H18O5/c1-3-14-5-7-15(8-6-14)13-23-18(20)16-9-11-17(12-10-16)24-19(21)22-4-2/h3,5-12H,1,4,13H2,2H3
InChIKeyCDYHEULPVXNEAN-UHFFFAOYSA-N
XLogP4.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
(4-ethenylphenyl)methyl 4-azidobenzoate
CID 138593704
[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
(4-ethenylphenyl)methyl 3,4,5-tris[[4-[(2R)-2-methylbutoxy]phenyl]methoxy]benzoate
CID 101405378
[4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate
CID 154692007
[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
CID 66614557
2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
CID 89417418
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate?
The IUPAC name of (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate (CID 122625881) is (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate.
What is the SMILES notation for (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate?
The canonical SMILES for (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate is C=Cc1ccc(COC(=O)c2ccc(OC(=O)OCC)cc2)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate?
The InChIKey is CDYHEULPVXNEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-3-14-5-7-15(8-6-14)13-23-18(20)16-9-11-17(12-10-16)24-19(21)22-4-2/h3,5-12H,1,4,13H2,2H3.
What are the key properties of (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate?
(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate has a molecular weight of 326.35 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate is sourced from PubChem (CID 122625881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).