2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate

C13H16O3 — CID 175381325

IUPAC2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate
SMILESCC(=Cc1ccccc1)C(=O)OCC(C)O
InChIInChI=1S/C13H16O3/c1-10(13(15)16-9-11(2)14)8-12-6-4-3-5-7-12/h3-8,11,14H,9H2,1-2H3
InChIKeyKVGHYHHJCMEDJK-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds4

About 2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate

2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate (PubChem CID 175381325) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate
PubChem CID175381325
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate
SMILESCC(=Cc1ccccc1)C(=O)OCC(C)O
InChIInChI=1S/C13H16O3/c1-10(13(15)16-9-11(2)14)8-12-6-4-3-5-7-12/h3-8,11,14H,9H2,1-2H3
InChIKeyKVGHYHHJCMEDJK-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

2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649
hexyl 2-methyl-3-phenylprop-2-enoate
CID 174586254
benzyl 3-(4-bromophenyl)-2-methylprop-2-enoate
CID 174954080
2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate
CID 18552542
(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene
CID 159660578
[3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate
CID 89456993
bis(2-hydroxypropyl) (E)-2-methyl-4-methylidenepent-2-enedioate
CID 178067128
ethyl (E)-3-(4-carbamoylphenyl)-2-methylprop-2-enoate
CID 104503414
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
octan-3-yl 2-methyl-3-phenylprop-2-enoate
CID 141377253
acetic acid;1-phenoxypropan-2-ol
CID 68567525

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate?
The IUPAC name of 2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate (CID 175381325) is 2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate.
What is the SMILES notation for 2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate?
The canonical SMILES for 2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate is CC(=Cc1ccccc1)C(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate?
The InChIKey is KVGHYHHJCMEDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(13(15)16-9-11(2)14)8-12-6-4-3-5-7-12/h3-8,11,14H,9H2,1-2H3.
What are the key properties of 2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate?
2-hydroxypropyl 2-methyl-3-phenylprop-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-hydroxypropyl 2-methyl-3-phenylprop-2-enoate is sourced from PubChem (CID 175381325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).