prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate

C18H18O3 — CID 54410738

IUPACprop-2-enyl 2-hydroxy-2,3-diphenylpropanoate
SMILESC=CCOC(=O)C(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c1-2-13-21-17(19)18(20,16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h2-12,20H,1,13-14H2
InChIKeyVTXXTQNUAVKELV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.85
Rot. Bonds6

About prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate

prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate (PubChem CID 54410738) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-hydroxy-2,3-diphenylpropanoate
PubChem CID54410738
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Nameprop-2-enyl 2-hydroxy-2,3-diphenylpropanoate
SMILESC=CCOC(=O)C(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c1-2-13-21-17(19)18(20,16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h2-12,20H,1,13-14H2
InChIKeyVTXXTQNUAVKELV-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154
bis(prop-2-enyl) 2,3-dibenzoyl-2,3-dihydroxybutanedioate
CID 139918601
(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420
dibenzyl 2-phenyl-2-prop-2-enylpropanedioate
CID 171777576
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
2-benzyl-2-hydroxybut-3-enoic acid
CID 101385573
2-amino-2-benzylbut-3-enoic acid
CID 10976314
benzyl 2-hydroxy-3-nitro-2-phenylpropanoate
CID 162413901
(2R)-2-amino-2-benzylpent-4-enamide
CID 135080853
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
ethyl (2S)-2-acetyl-2-benzylpent-4-enoate
CID 134961684

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate?
The IUPAC name of prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate (CID 54410738) is prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate.
What is the SMILES notation for prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate?
The canonical SMILES for prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate is C=CCOC(=O)C(O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate?
The InChIKey is VTXXTQNUAVKELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-13-21-17(19)18(20,16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h2-12,20H,1,13-14H2.
What are the key properties of prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate?
prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate has a molecular weight of 282.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate is sourced from PubChem (CID 54410738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).