(3-phenoxyphenyl)methyl prop-2-enoate

C16H14O3 — CID 22283435

IUPAC(3-phenoxyphenyl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H14O3/c1-2-16(17)18-12-13-7-6-10-15(11-13)19-14-8-4-3-5-9-14/h2-11H,1,12H2
InChIKeyBXSPZNVFEYWSLZ-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.71
Rot. Bonds5

About (3-phenoxyphenyl)methyl prop-2-enoate

(3-phenoxyphenyl)methyl prop-2-enoate (PubChem CID 22283435) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (3-phenoxyphenyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(3-phenoxyphenyl)methyl prop-2-enoate
PubChem CID22283435
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(3-phenoxyphenyl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H14O3/c1-2-16(17)18-12-13-7-6-10-15(11-13)19-14-8-4-3-5-9-14/h2-11H,1,12H2
InChIKeyBXSPZNVFEYWSLZ-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)methyl prop-2-enoate?
The IUPAC name of (3-phenoxyphenyl)methyl prop-2-enoate (CID 22283435) is (3-phenoxyphenyl)methyl prop-2-enoate.
What is the SMILES notation for (3-phenoxyphenyl)methyl prop-2-enoate?
The canonical SMILES for (3-phenoxyphenyl)methyl prop-2-enoate is C=CC(=O)OCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3-phenoxyphenyl)methyl prop-2-enoate?
The InChIKey is BXSPZNVFEYWSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-16(17)18-12-13-7-6-10-15(11-13)19-14-8-4-3-5-9-14/h2-11H,1,12H2.
What are the key properties of (3-phenoxyphenyl)methyl prop-2-enoate?
(3-phenoxyphenyl)methyl prop-2-enoate has a molecular weight of 254.28 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)methyl prop-2-enoate is sourced from PubChem (CID 22283435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).