prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate

C13H16O4 — CID 67804121

IUPACprop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
SMILESC=CCOC(=O)C(O)COCc1ccccc1
InChIInChI=1S/C13H16O4/c1-2-8-17-13(15)12(14)10-16-9-11-6-4-3-5-7-11/h2-7,12,14H,1,8-10H2
InChIKeyMHZSKOMTKKLEDS-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.29
Rot. Bonds7

About prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate

prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate (PubChem CID 67804121) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
PubChem CID67804121
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Nameprop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
SMILESC=CCOC(=O)C(O)COCc1ccccc1
InChIInChI=1S/C13H16O4/c1-2-8-17-13(15)12(14)10-16-9-11-6-4-3-5-7-11/h2-7,12,14H,1,8-10H2
InChIKeyMHZSKOMTKKLEDS-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2R)-2-hydroxypent-4-enoate
CID 11356210
1-O-benzyl 4-O-[(2S)-4-[(2S)-4-[(2S)-1,4-dioxo-1-phenylmethoxy-4-prop-2-enoxybutan-2-yl]oxy-1,4-dioxo-1-phenylmethoxybutan-2-yl]oxy-1,4-dioxo-1-phenylmethoxybutan-2-yl] (2S)-2-hydroxybutanedioate
CID 10748237
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
[(2S)-2-hydroxy-3-phenylmethoxypropyl] undec-10-enoate
CID 71770260
methyl (2S)-2-[(1S,2S)-1-hydroxy-2-methyl-3-phenylmethoxypropyl]pent-4-enoate
CID 11323799
(3S)-3-hydroxy-4-phenylmethoxybutanehydrazide
CID 54516558
1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid
CID 79425525
1-O-benzyl 4-O-prop-2-enyl (2R)-2-aminobutanedioate
CID 11780340
prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate
CID 87946650
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate?
The IUPAC name of prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate (CID 67804121) is prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate.
What is the SMILES notation for prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate?
The canonical SMILES for prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate is C=CCOC(=O)C(O)COCc1ccccc1.
What is the InChIKey of prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate?
The InChIKey is MHZSKOMTKKLEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-2-8-17-13(15)12(14)10-16-9-11-6-4-3-5-7-11/h2-7,12,14H,1,8-10H2.
What are the key properties of prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate?
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate has a molecular weight of 236.27 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate is sourced from PubChem (CID 67804121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).