methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate

C17H16O4 — CID 131845305

IUPACmethyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate
SMILESCOC(=O)C(=COc1ccccc1)COc1ccccc1
InChIInChI=1S/C17H16O4/c1-19-17(18)14(12-20-15-8-4-2-5-9-15)13-21-16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeyBXMGFFDULBYEHJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.20
Rot. Bonds6

About methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate

methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate (PubChem CID 131845305) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate
PubChem CID131845305
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namemethyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate
SMILESCOC(=O)C(=COc1ccccc1)COc1ccccc1
InChIInChI=1S/C17H16O4/c1-19-17(18)14(12-20-15-8-4-2-5-9-15)13-21-16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeyBXMGFFDULBYEHJ-UHFFFAOYSA-N
XLogP3.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate
CID 67650503
5-O-benzyl 1-O-methyl (2E,4S)-2-(phenoxymethylidene)-4-phenylpentanedioate
CID 11069746
chloromethane;2-phenoxyacetic acid
CID 157255542
methyl 2-phenoxyethaneperoxoate
CID 57363881
ethane;methyl 2-(phenoxymethyl)prop-2-enoate;phenol;propane
CID 160551475
2-phenoxyacetic acid;titanium
CID 174896747
O-methyl 2-phenoxyethanethioate
CID 154302065
propan-2-yl 2-phenoxyacetate
CID 11367560
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
(Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid
CID 24974135
ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate
CID 142680808
5-methoxy-1-phenoxypentan-2-one
CID 115601921

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate?
The IUPAC name of methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate (CID 131845305) is methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate.
What is the SMILES notation for methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate?
The canonical SMILES for methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate is COC(=O)C(=COc1ccccc1)COc1ccccc1.
What is the InChIKey of methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate?
The InChIKey is BXMGFFDULBYEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-17(18)14(12-20-15-8-4-2-5-9-15)13-21-16-10-6-3-7-11-16/h2-12H,13H2,1H3.
What are the key properties of methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate?
methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate is sourced from PubChem (CID 131845305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).