[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate

C18H16O5 — CID 67527646

IUPAC[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate
SMILESC=CC(=O)OC(CO)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O5/c1-2-16(20)23-17(12-19)22-15-10-8-14(9-11-15)18(21)13-6-4-3-5-7-13/h2-11,17,19H,1,12H2
InChIKeyLSMGWHBHKWMPQO-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.34
Rot. Bonds7

About [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate

[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate (PubChem CID 67527646) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate.

Molecular Properties

Compound Name[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate
PubChem CID67527646
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate
SMILESC=CC(=O)OC(CO)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O5/c1-2-16(20)23-17(12-19)22-15-10-8-14(9-11-15)18(21)13-6-4-3-5-7-13/h2-11,17,19H,1,12H2
InChIKeyLSMGWHBHKWMPQO-UHFFFAOYSA-N
XLogP2.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
1-(4-acetylphenoxy)butyl prop-2-enoate
CID 59237709
1-[3-(4-benzoylphenoxy)propanoylamino]propan-2-yl prop-2-enoate
CID 141454852
3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate
CID 22892324
(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate
CID 153394937
2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 134268276
2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate
CID 139674274
[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone
CID 144654455
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
[4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate
CID 89276913

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate?
The IUPAC name of [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate (CID 67527646) is [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate.
What is the SMILES notation for [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate?
The canonical SMILES for [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate is C=CC(=O)OC(CO)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate?
The InChIKey is LSMGWHBHKWMPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-2-16(20)23-17(12-19)22-15-10-8-14(9-11-15)18(21)13-6-4-3-5-7-13/h2-11,17,19H,1,12H2.
What are the key properties of [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate?
[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate has a molecular weight of 312.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate is sourced from PubChem (CID 67527646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).