2-(3-phenylprop-2-enoyloxy)acetic acid

C11H10O4 — CID 54392103

IUPAC2-(3-phenylprop-2-enoyloxy)acetic acid
SMILESO=C(O)COC(=O)C=Cc1ccccc1
InChIInChI=1S/C11H10O4/c12-10(13)8-15-11(14)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKeyVHJCPHFNUNRRNQ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.33
Rot. Bonds4

About 2-(3-phenylprop-2-enoyloxy)acetic acid

2-(3-phenylprop-2-enoyloxy)acetic acid (PubChem CID 54392103) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enoyloxy)acetic acid.

Molecular Properties

Compound Name2-(3-phenylprop-2-enoyloxy)acetic acid
PubChem CID54392103
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2-(3-phenylprop-2-enoyloxy)acetic acid
SMILESO=C(O)COC(=O)C=Cc1ccccc1
InChIInChI=1S/C11H10O4/c12-10(13)8-15-11(14)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKeyVHJCPHFNUNRRNQ-UHFFFAOYSA-N
XLogP1.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
CID 101219702
2-[3-[4-[hydroperoxy(phenyl)methyl]phenyl]prop-2-enoyloxy]acetic acid
CID 161272268
amino 3-phenylprop-2-enoate
CID 67189797
[2-(tert-butylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2508922
[2-(dibenzylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860757
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
3-phenylprop-2-enoyloxymethylphosphonic acid
CID 123586829
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
CID 53253335
3-[dichloro-[3-[(E)-3-phenylprop-2-enoyl]oxypropyl]-λ4-selanyl]propyl (E)-3-phenylprop-2-enoate
CID 134925812

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enoyloxy)acetic acid?
The IUPAC name of 2-(3-phenylprop-2-enoyloxy)acetic acid (CID 54392103) is 2-(3-phenylprop-2-enoyloxy)acetic acid.
What is the SMILES notation for 2-(3-phenylprop-2-enoyloxy)acetic acid?
The canonical SMILES for 2-(3-phenylprop-2-enoyloxy)acetic acid is O=C(O)COC(=O)C=Cc1ccccc1.
What is the InChIKey of 2-(3-phenylprop-2-enoyloxy)acetic acid?
The InChIKey is VHJCPHFNUNRRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-10(13)8-15-11(14)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13).
What are the key properties of 2-(3-phenylprop-2-enoyloxy)acetic acid?
2-(3-phenylprop-2-enoyloxy)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enoyloxy)acetic acid is sourced from PubChem (CID 54392103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).