2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate

C15H18O6 — CID 118331658

IUPAC2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)c1cccc(O)c1
InChIInChI=1S/C15H18O6/c1-11(2)14(17)20-8-6-19-7-9-21-15(18)12-4-3-5-13(16)10-12/h3-5,10,16H,1,6-9H2,2H3
InChIKeyNLYDYCCWVRMBQD-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.68
Rot. Bonds8

About 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate

2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate (PubChem CID 118331658) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate
PubChem CID118331658
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)c1cccc(O)c1
InChIInChI=1S/C15H18O6/c1-11(2)14(17)20-8-6-19-7-9-21-15(18)12-4-3-5-13(16)10-12/h3-5,10,16H,1,6-9H2,2H3
InChIKeyNLYDYCCWVRMBQD-UHFFFAOYSA-N
XLogP1.68
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate 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

3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate
CID 118331656
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
CID 118331665
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 22572510
2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
CID 89122297
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903
2-(2-methylprop-2-enoyloxy)ethyl 3,5-diaminobenzoate
CID 2306460
propyl 2-(3-hydroxyphenyl)prop-2-enoate
CID 174372133
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158568782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate?
The IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate (CID 118331658) is 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate?
The canonical SMILES for 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate is C=C(C)C(=O)OCCOCCOC(=O)c1cccc(O)c1.
What is the InChIKey of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate?
The InChIKey is NLYDYCCWVRMBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-11(2)14(17)20-8-6-19-7-9-21-15(18)12-4-3-5-13(16)10-12/h3-5,10,16H,1,6-9H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate?
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate has a molecular weight of 294.30 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate is sourced from PubChem (CID 118331658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).