ethoxybenzene;ethyl 2-methylprop-2-enoate

C14H20O3 — CID 175299667

IUPACethoxybenzene;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCOc1ccccc1
InChIInChI=1S/C8H10O.C6H10O2/c1-2-9-8-6-4-3-5-7-8;1-4-8-6(7)5(2)3/h3-7H,2H2,1H3;2,4H2,1,3H3
InChIKeyAYJFBCQALPREEM-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.21
Rot. Bonds4

About ethoxybenzene;ethyl 2-methylprop-2-enoate

ethoxybenzene;ethyl 2-methylprop-2-enoate (PubChem CID 175299667) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethoxybenzene;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethoxybenzene;ethyl 2-methylprop-2-enoate
PubChem CID175299667
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethoxybenzene;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCOc1ccccc1
InChIInChI=1S/C8H10O.C6H10O2/c1-2-9-8-6-4-3-5-7-8;1-4-8-6(7)5(2)3/h3-7H,2H2,1H3;2,4H2,1,3H3
InChIKeyAYJFBCQALPREEM-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethanol;ethoxybenzene;ethyl 2-methylprop-2-enoate;methane;propane;toluene
CID 157069050
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326
chlorobenzene;ethyl 2-methylprop-2-enoate;hydrate
CID 158184145
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
ethyl 2-methylprop-2-enoate
CID 130475774
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
ethane;ethoxybenzene;2-ethoxyoxirane;ethylbenzene;ethyl 2-methylprop-2-enoate;methane;prop-1-ene
CID 161455652
ethyl 2-methylprop-2-enoate;methane
CID 159235789

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;ethyl 2-methylprop-2-enoate?
The IUPAC name of ethoxybenzene;ethyl 2-methylprop-2-enoate (CID 175299667) is ethoxybenzene;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethoxybenzene;ethyl 2-methylprop-2-enoate?
The canonical SMILES for ethoxybenzene;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.CCOc1ccccc1.
What is the InChIKey of ethoxybenzene;ethyl 2-methylprop-2-enoate?
The InChIKey is AYJFBCQALPREEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H10O2/c1-2-9-8-6-4-3-5-7-8;1-4-8-6(7)5(2)3/h3-7H,2H2,1H3;2,4H2,1,3H3.
What are the key properties of ethoxybenzene;ethyl 2-methylprop-2-enoate?
ethoxybenzene;ethyl 2-methylprop-2-enoate has a molecular weight of 236.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 175299667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).