[(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate

C11H12O4 — CID 70189068

IUPAC[(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate
SMILESCC(=O)OC/C(O)=C(/O)c1ccccc1
InChIInChI=1S/C11H12O4/c1-8(12)15-7-10(13)11(14)9-5-3-2-4-6-9/h2-6,13-14H,7H2,1H3/b11-10-
InChIKeyFWAQRLZDYBZWKJ-KHPPLWFESA-N
MW208.21 g/mol
LogP2.03
Rot. Bonds3

About [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate

[(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate (PubChem CID 70189068) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate
PubChem CID70189068
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name[(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate
SMILESCC(=O)OC/C(O)=C(/O)c1ccccc1
InChIInChI=1S/C11H12O4/c1-8(12)15-7-10(13)11(14)9-5-3-2-4-6-9/h2-6,13-14H,7H2,1H3/b11-10-
InChIKeyFWAQRLZDYBZWKJ-KHPPLWFESA-N
XLogP2.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-3-methylbut-2-enyl) benzoate
CID 162371830
diphenylmethanimine;ethyl acetate
CID 174383582
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
methoxymethyl acetate;1-phenylethanone
CID 91080565
benzyl acetate
CID 8785
(2-oxo-4-phenylbut-3-ynyl) acetate
CID 146011375
benzyl acetate;benzyl benzoate
CID 158805672
propyl acetate;propyl benzoate
CID 123140515
[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate
CID 91701441
benzoic acid;butyl acetate
CID 67420594
(3-chloro-2-oxo-3-phenylpropyl) acetate
CID 141131130

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate?
The IUPAC name of [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate (CID 70189068) is [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate.
What is the SMILES notation for [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate?
The canonical SMILES for [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate is CC(=O)OC/C(O)=C(/O)c1ccccc1.
What is the InChIKey of [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate?
The InChIKey is FWAQRLZDYBZWKJ-KHPPLWFESA-N. The full InChI is InChI=1S/C11H12O4/c1-8(12)15-7-10(13)11(14)9-5-3-2-4-6-9/h2-6,13-14H,7H2,1H3/b11-10-.
What are the key properties of [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate?
[(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate has a molecular weight of 208.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate is sourced from PubChem (CID 70189068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).