(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate

C14H16O5 — CID 21390095

IUPAC(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COc1ccccc1)OC(C)=O
InChIInChI=1S/C14H16O5/c1-10(2)14(16)19-13(18-11(3)15)9-17-12-7-5-4-6-8-12/h4-8,13H,1,9H2,2-3H3
InChIKeyUXLPLCIZTNPPBM-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.07
Rot. Bonds6

About (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate

(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate (PubChem CID 21390095) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
PubChem CID21390095
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COc1ccccc1)OC(C)=O
InChIInChI=1S/C14H16O5/c1-10(2)14(16)19-13(18-11(3)15)9-17-12-7-5-4-6-8-12/h4-8,13H,1,9H2,2-3H3
InChIKeyUXLPLCIZTNPPBM-UHFFFAOYSA-N
XLogP2.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
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

(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate
CID 142355306
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
(1-hydroxy-3-phenoxypropan-2-yl) 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) 2-methylprop-2-enoate
CID 160914554
[1-[3-[2-(2-methylprop-2-enoyloxy)-3-(3-phenylphenoxy)propoxy]phenoxy]-3-(3-phenylphenoxy)propan-2-yl] 2-methylprop-2-enoate
CID 23111057
[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate
CID 118333770
2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 170549371
[3-[4-[4-[3-(2-methylprop-2-enoyloxy)-3-(3-phenylphenoxy)propoxy]phenyl]phenoxy]-1-(3-phenylphenoxy)propyl] 2-methylprop-2-enoate
CID 141224407
ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326
1,3-dibenzhydryloxypropan-2-yl 2-methylprop-2-enoate
CID 175128575
8-phenoxyoctan-3-yl 2-methylprop-2-enoate
CID 175400272
[1-[4-[2-(2-methylprop-2-enoyloxy)-3-naphthalen-1-yloxypropoxy]phenoxy]-3-naphthalen-1-yloxypropan-2-yl] 2-methylprop-2-enoate
CID 68949380

Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate?
The IUPAC name of (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate (CID 21390095) is (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(COc1ccccc1)OC(C)=O.
What is the InChIKey of (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate?
The InChIKey is UXLPLCIZTNPPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-10(2)14(16)19-13(18-11(3)15)9-17-12-7-5-4-6-8-12/h4-8,13H,1,9H2,2-3H3.
What are the key properties of (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate?
(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate is sourced from PubChem (CID 21390095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).