2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene

C20H24O4 — CID 70268341

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
SMILESC=C(C)C(=O)OCCO.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C6H10O3/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-5(2)6(8)9-4-3-7/h1-10H,11-12H2;7H,1,3-4H2,2H3
InChIKeyHUYHABHEJYWYOG-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.50
Rot. Bonds7

About 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene

2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene (PubChem CID 70268341) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
PubChem CID70268341
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
SMILESC=C(C)C(=O)OCCO.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C6H10O3/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-5(2)6(8)9-4-3-7/h1-10H,11-12H2;7H,1,3-4H2,2H3
InChIKeyHUYHABHEJYWYOG-UHFFFAOYSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-(phenylmethoxymethyl)azanium
CID 174680990
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
2-[4-[1-(2-phenylmethoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate
CID 20607694
2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392121
acetic acid;phenylmethoxymethylbenzene
CID 175214238
benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 67462298
ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate
CID 123212080
CID 175978198
CID 175978198
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene (CID 70268341) is 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene is C=C(C)C(=O)OCCO.c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene?
The InChIKey is HUYHABHEJYWYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C6H10O3/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-5(2)6(8)9-4-3-7/h1-10H,11-12H2;7H,1,3-4H2,2H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene?
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene has a molecular weight of 328.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene is sourced from PubChem (CID 70268341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).