[4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate

C14H16O5 — CID 155152868

IUPAC[4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C14H16O5/c1-4-12(15)19-9-18-11-7-5-10(6-8-11)13(16)14(2,3)17/h4-8,17H,1,9H2,2-3H3
InChIKeyVMTVKNNXJSVKCS-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.71
Rot. Bonds6

About [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate

[4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate (PubChem CID 155152868) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate
PubChem CID155152868
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name[4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C14H16O5/c1-4-12(15)19-9-18-11-7-5-10(6-8-11)13(16)14(2,3)17/h4-8,17H,1,9H2,2-3H3
InChIKeyVMTVKNNXJSVKCS-UHFFFAOYSA-N
XLogP1.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;4-(prop-2-enoyloxymethoxy)benzoic acid
CID 158280789
[4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 59702743
2-[2-[1-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 58434140
(4-methoxycarbonylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 54225786
[4-(4-ethoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 118151218
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate
CID 59281810
[4-[4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoyl]oxyphenyl] 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate
CID 90051323
2-hydroxy-1-[4-(hydroxymethoxy)phenyl]-2-methylpropan-1-one;methane
CID 162256777
[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-prop-2-enoxybenzoate
CID 129081661
[[4-[bis(prop-2-enoyloxymethyl)amino]-6-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy-(prop-2-enoyloxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
CID 101117138
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate?
The IUPAC name of [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate (CID 155152868) is [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate?
The canonical SMILES for [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate is C=CC(=O)OCOc1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate?
The InChIKey is VMTVKNNXJSVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-4-12(15)19-9-18-11-7-5-10(6-8-11)13(16)14(2,3)17/h4-8,17H,1,9H2,2-3H3.
What are the key properties of [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate?
[4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate is sourced from PubChem (CID 155152868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).