2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one

C18H24O4 — CID 23436647

IUPAC2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one
SMILESC=CCOCCOc1ccc(C(=O)C(C)(C)OCC=C)cc1
InChIInChI=1S/C18H24O4/c1-5-11-20-13-14-21-16-9-7-15(8-10-16)17(19)18(3,4)22-12-6-2/h5-10H,1-2,11-14H2,3-4H3
InChIKeyQLZCBJGAAADZHH-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.43
Rot. Bonds11

About 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one

2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one (PubChem CID 23436647) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one
PubChem CID23436647
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one
SMILESC=CCOCCOc1ccc(C(=O)C(C)(C)OCC=C)cc1
InChIInChI=1S/C18H24O4/c1-5-11-20-13-14-21-16-9-7-15(8-10-16)17(19)18(3,4)22-12-6-2/h5-10H,1-2,11-14H2,3-4H3
InChIKeyQLZCBJGAAADZHH-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
CID 161243882
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
CID 22082109
2-[2-[1-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 58434140
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
4-(2-ethenoxyethoxy)benzoic acid
CID 15390034
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one?
The IUPAC name of 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one (CID 23436647) is 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one?
The canonical SMILES for 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one is C=CCOCCOc1ccc(C(=O)C(C)(C)OCC=C)cc1.
What is the InChIKey of 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one?
The InChIKey is QLZCBJGAAADZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-5-11-20-13-14-21-16-9-7-15(8-10-16)17(19)18(3,4)22-12-6-2/h5-10H,1-2,11-14H2,3-4H3.
What are the key properties of 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one?
2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 3.43, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one is sourced from PubChem (CID 23436647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).