phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate

C17H16O4 — CID 67650503

IUPACphenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate
SMILESCOC=C(COc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H16O4/c1-19-12-14(13-20-15-8-4-2-5-9-15)17(18)21-16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeySHVYHLPJFITTJO-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.20
Rot. Bonds6

About phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate

phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate (PubChem CID 67650503) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namephenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate
PubChem CID67650503
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namephenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate
SMILESCOC=C(COc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H16O4/c1-19-12-14(13-20-15-8-4-2-5-9-15)17(18)21-16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeySHVYHLPJFITTJO-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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 4-bromo-2-(methoxymethylidene)butanoate
CID 67752580
methyl 3-phenoxy-2-(phenoxymethyl)prop-2-enoate
CID 131845305
diphenyl oxalate;ethane
CID 162013592
2-phenoxyacetic acid;phenyl acetate
CID 160680696
chloromethane;2-phenoxyacetic acid
CID 157255542
methyl 2-phenoxyethaneperoxoate
CID 57363881
2-phenoxyacetic acid;titanium
CID 174896747
propan-2-yl 2-phenoxyacetate
CID 11367560
(2,6-dimethylphenyl) 2-phenoxyacetate
CID 678664
5-methoxy-1-phenoxypentan-2-one
CID 115601921
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-oxo-3-phenoxypropanoic acid
CID 18994126

Frequently Asked Questions

What is the IUPAC name of phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate?
The IUPAC name of phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate (CID 67650503) is phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate.
What is the SMILES notation for phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate?
The canonical SMILES for phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate is COC=C(COc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate?
The InChIKey is SHVYHLPJFITTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-12-14(13-20-15-8-4-2-5-9-15)17(18)21-16-10-6-3-7-11-16/h2-12H,13H2,1H3.
What are the key properties of phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate?
phenyl 3-methoxy-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 phenyl 3-methoxy-2-(phenoxymethyl)prop-2-enoate is sourced from PubChem (CID 67650503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).