2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate

C15H18O6 — CID 118331665

IUPAC2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H18O6/c1-11(2)14(17)20-9-7-19-8-10-21-15(18)12-3-5-13(16)6-4-12/h3-6,16H,1,7-10H2,2H3
InChIKeyKQVDVKOGHBWOPI-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.68
Rot. Bonds8

About 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate

2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate (PubChem CID 118331665) 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 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
PubChem CID118331665
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H18O6/c1-11(2)14(17)20-9-7-19-8-10-21-15(18)12-3-5-13(16)6-4-12/h3-6,16H,1,7-10H2,2H3
InChIKeyKQVDVKOGHBWOPI-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'}

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
CID 89122297
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate
CID 118331658
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158568782
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 4-[4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]phenyl]benzoate
CID 130395135
2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate
CID 89091469
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-[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
3-methylbut-3-enyl 4-hydroxybenzoate
CID 118490878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate?
The IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate (CID 118331665) is 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate is C=C(C)C(=O)OCCOCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate?
The InChIKey is KQVDVKOGHBWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-11(2)14(17)20-9-7-19-8-10-21-15(18)12-3-5-13(16)6-4-12/h3-6,16H,1,7-10H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate?
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-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 4-hydroxybenzoate is sourced from PubChem (CID 118331665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).