2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate

C19H18O5 — CID 89122297

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
SMILESC=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H18O5/c1-13(2)18(21)23-11-12-24-19(22)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10,20H,1,11-12H2,2H3
InChIKeyYACLYRZPWRJRKO-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.34
Rot. Bonds6

About 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate

2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate (PubChem CID 89122297) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
PubChem CID89122297
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
SMILESC=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H18O5/c1-13(2)18(21)23-11-12-24-19(22)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10,20H,1,11-12H2,2H3
InChIKeyYACLYRZPWRJRKO-UHFFFAOYSA-N
XLogP3.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.34
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-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
CID 118331665
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 4-[4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]phenyl]benzoate
CID 130395135
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903
2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
CID 174745989
2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate
CID 89091469
3-methylbut-3-enyl 4-hydroxybenzoate
CID 118490878
6-(2-methylprop-2-enoyloxy)hexyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 15451984
2-(2-methylprop-2-enoyloxy)ethyl 4-[4-(1-hydroxy-2-methylprop-2-enoxy)-3-(2-methylprop-2-enoyloxy)phenyl]benzoate
CID 139556293
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate
CID 118331658
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
propyl 4-hydroxybenzoate
CID 66683808
2-(2-methylprop-2-enoyloxy)ethyl 3,5-diaminobenzoate
CID 2306460

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate (CID 89122297) is 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate is C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate?
The InChIKey is YACLYRZPWRJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-13(2)18(21)23-11-12-24-19(22)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10,20H,1,11-12H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate?
2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate has a molecular weight of 326.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 89122297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).