[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid

C14H16O5 — CID 159520635

IUPAC[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OC(OC)c1ccccc1
InChIInChI=1S/C11H12O3.C3H4O2/c1-3-10(12)14-11(13-2)9-7-5-4-6-8-9;1-2-3(4)5/h3-8,11H,1H2,2H3;2H,1H2,(H,4,5)
InChIKeyMBTFEQILNMPMHN-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.32
Rot. Bonds5

About [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid

[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid (PubChem CID 159520635) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Name[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid
PubChem CID159520635
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OC(OC)c1ccccc1
InChIInChI=1S/C11H12O3.C3H4O2/c1-3-10(12)14-11(13-2)9-7-5-4-6-8-9;1-2-3(4)5/h3-8,11H,1H2,2H3;2H,1H2,(H,4,5)
InChIKeyMBTFEQILNMPMHN-UHFFFAOYSA-N
XLogP2.32
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid?
The IUPAC name of [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid (CID 159520635) is [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid?
The canonical SMILES for [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid is C=CC(=O)O.C=CC(=O)OC(OC)c1ccccc1.
What is the InChIKey of [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid?
The InChIKey is MBTFEQILNMPMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C3H4O2/c1-3-10(12)14-11(13-2)9-7-5-4-6-8-9;1-2-3(4)5/h3-8,11H,1H2,2H3;2H,1H2,(H,4,5).
What are the key properties of [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid?
[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid has a molecular weight of 264.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 159520635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).