2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate

C24H28O7 — CID 134268276

IUPAC2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC(C)OCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H28O7/c1-3-23(25)31-16-14-27-13-15-28-19(2)29-17-18-30-22-11-9-21(10-12-22)24(26)20-7-5-4-6-8-20/h3-12,19H,1,13-18H2,2H3
InChIKeyPNXZHKHMOKWYAV-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.42
Rot. Bonds15

About 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate

2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 134268276) has the molecular formula C24H28O7 and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
PubChem CID134268276
Molecular FormulaC24H28O7
Molecular Weight428.48 g/mol
Exact Mass428.18
IUPAC Name2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC(C)OCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H28O7/c1-3-23(25)31-16-14-27-13-15-28-19(2)29-17-18-30-22-11-9-21(10-12-22)24(26)20-7-5-4-6-8-20/h3-12,19H,1,13-18H2,2H3
InChIKeyPNXZHKHMOKWYAV-UHFFFAOYSA-N
XLogP3.42
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 58434140
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706
4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid
CID 168764604
(4-methoxyphenyl)-phenylmethanone;trimethyl(2-prop-2-enoyloxyethyl)azanium;bromide
CID 23037628
2,2-bis(2-methylpropanoyloxymethyl)butyl 2-methylpropanoate;2-(2-phenoxyethoxy)ethyl prop-2-enoate
CID 158351128
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
CID 167210341
[4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 141444008
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate
CID 59017570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate (CID 134268276) is 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOC(C)OCCOc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate?
The InChIKey is PNXZHKHMOKWYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O7/c1-3-23(25)31-16-14-27-13-15-28-19(2)29-17-18-30-22-11-9-21(10-12-22)24(26)20-7-5-4-6-8-20/h3-12,19H,1,13-18H2,2H3.
What are the key properties of 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate?
2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 428.48 g/mol, XLogP of 3.42, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 134268276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).