2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate

C15H18O5 — CID 54505506

IUPAC2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1C(=O)C(C)(C)O
InChIInChI=1S/C15H18O5/c1-4-13(16)20-10-9-19-12-8-6-5-7-11(12)14(17)15(2,3)18/h4-8,18H,1,9-10H2,2-3H3
InChIKeyYFJRSVPWBADANF-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.75
Rot. Bonds7

About 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate

2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate (PubChem CID 54505506) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
PubChem CID54505506
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1C(=O)C(C)(C)O
InChIInChI=1S/C15H18O5/c1-4-13(16)20-10-9-19-12-8-6-5-7-11(12)14(17)15(2,3)18/h4-8,18H,1,9-10H2,2-3H3
InChIKeyYFJRSVPWBADANF-UHFFFAOYSA-N
XLogP1.75
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-(2,3-diaminophenoxy)ethyl prop-2-enoate
CID 141212699
2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
CID 174547295
2-(2-nitrophenoxy)ethyl prop-2-enoate
CID 102248252
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
2-[2-methyl-4-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59739112
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
CID 141065793

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate (CID 54505506) is 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccccc1C(=O)C(C)(C)O.
What is the InChIKey of 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is YFJRSVPWBADANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-4-13(16)20-10-9-19-12-8-6-5-7-11(12)14(17)15(2,3)18/h4-8,18H,1,9-10H2,2-3H3.
What are the key properties of 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate?
2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 278.30 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 54505506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).