(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate

C13H16O3 — CID 122518351

IUPAC(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(O)c1ccccc1
InChIInChI=1S/C13H16O3/c1-10(2)12(14)16-9-13(3,15)11-7-5-4-6-8-11/h4-8,15H,1,9H2,2-3H3
InChIKeyIHNJMOKEPKMOFR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds4

About (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate

(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate (PubChem CID 122518351) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
PubChem CID122518351
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(O)c1ccccc1
InChIInChI=1S/C13H16O3/c1-10(2)12(14)16-9-13(3,15)11-7-5-4-6-8-11/h4-8,15H,1,9H2,2-3H3
InChIKeyIHNJMOKEPKMOFR-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.01
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

[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
CID 22918054
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282
bis[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] benzene-1,2-dicarboxylate
CID 139753274
2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
CID 173000095
(4,4-dihydroxy-3-methyl-4-phenylbutyl) 2-methylprop-2-enoate
CID 150252991
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
benzyl (2-hydroxy-2-phenylpropyl) carbonate
CID 139815152
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
benzyl 2-methylprop-2-enoate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate
CID 158265907
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
4-(2-phenylpropan-2-ylsulfanyl)butyl 2-methylprop-2-enoate
CID 66643500

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate?
The IUPAC name of (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate (CID 122518351) is (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate?
The InChIKey is IHNJMOKEPKMOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(2)12(14)16-9-13(3,15)11-7-5-4-6-8-11/h4-8,15H,1,9H2,2-3H3.
What are the key properties of (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate?
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 122518351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).