2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate

C24H28O5 — CID 59129637

IUPAC2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCC3(C)CO3)cc2)cc1
InChIInChI=1S/C24H28O5/c1-5-22(25)27-15-14-26-20-10-6-18(7-11-20)23(2,3)19-8-12-21(13-9-19)28-16-24(4)17-29-24/h5-13H,1,14-17H2,2-4H3
InChIKeyCTYBZQFDQWZAFS-UHFFFAOYSA-N
MW396.48 g/mol
LogP4.29
Rot. Bonds10

About 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate

2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate (PubChem CID 59129637) has the molecular formula C24H28O5 and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
PubChem CID59129637
Molecular FormulaC24H28O5
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Name2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCC3(C)CO3)cc2)cc1
InChIInChI=1S/C24H28O5/c1-5-22(25)27-15-14-26-20-10-6-18(7-11-20)23(2,3)19-8-12-21(13-9-19)28-16-24(4)17-29-24/h5-13H,1,14-17H2,2-4H3
InChIKeyCTYBZQFDQWZAFS-UHFFFAOYSA-N
XLogP4.29
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 151210127
2-[3-[4-[2-[4-[3-(2-prop-2-enoyloxyethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]ethyl prop-2-enoate
CID 158911579
2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
CID 145475606
3-[3-[4-[2-[4-[3-(3-prop-2-enoyloxypropoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]propyl prop-2-enoate
CID 57128581
4-[4-(2-phenylpropan-2-yl)phenoxy]butyl prop-2-enoate
CID 175070741
11-[4-(2-phenylpropan-2-yl)phenoxy]undecyl prop-2-enoate
CID 164916146
2-[4-[2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1-(3-prop-2-enoyloxy-1-oxaspiro[3.5]nonan-7-yl)ethyl]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59228666
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
2-[2-[2-[2-[4-[2-[4-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 101011934
3-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]propyl 2-methylprop-2-enoate
CID 23544685
2-[2-methyl-4-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59739112
2-[4-[2-[4-(3-methylbutoxy)phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 130411797

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate (CID 59129637) is 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCC3(C)CO3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate?
The InChIKey is CTYBZQFDQWZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O5/c1-5-22(25)27-15-14-26-20-10-6-18(7-11-20)23(2,3)19-8-12-21(13-9-19)28-16-24(4)17-29-24/h5-13H,1,14-17H2,2-4H3.
What are the key properties of 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate?
2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate has a molecular weight of 396.48 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 59129637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).