methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate

C14H14O4 — CID 10083253

IUPACmethyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
SMILESC=CCOc1ccccc1C(=O)C(=C)C(=O)OC
InChIInChI=1S/C14H14O4/c1-4-9-18-12-8-6-5-7-11(12)13(15)10(2)14(16)17-3/h4-8H,1-2,9H2,3H3
InChIKeyGHJYSOUAQMXBGG-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.16
Rot. Bonds6

About methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate

methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate (PubChem CID 10083253) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
PubChem CID10083253
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namemethyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
SMILESC=CCOc1ccccc1C(=O)C(=C)C(=O)OC
InChIInChI=1S/C14H14O4/c1-4-9-18-12-8-6-5-7-11(12)13(15)10(2)14(16)17-3/h4-8H,1-2,9H2,3H3
InChIKeyGHJYSOUAQMXBGG-UHFFFAOYSA-N
XLogP2.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
CID 67861260
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
N-methoxy-N-methyl-2-prop-2-enoxybenzamide
CID 60735297
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate
CID 101413368
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
[4-(2-methylprop-2-enoyloxy)phenyl] 2-prop-2-enoxybenzoate
CID 18368742
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate?
The IUPAC name of methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate (CID 10083253) is methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate?
The canonical SMILES for methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate is C=CCOc1ccccc1C(=O)C(=C)C(=O)OC.
What is the InChIKey of methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate?
The InChIKey is GHJYSOUAQMXBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-4-9-18-12-8-6-5-7-11(12)13(15)10(2)14(16)17-3/h4-8H,1-2,9H2,3H3.
What are the key properties of methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate?
methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate has a molecular weight of 246.26 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate is sourced from PubChem (CID 10083253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).