2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate

C15H18O5 — CID 89091469

IUPAC2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate
SMILESC=C(C(=O)OCCOC(=O)c1ccc(O)cc1)C(C)C
InChIInChI=1S/C15H18O5/c1-10(2)11(3)14(17)19-8-9-20-15(18)12-4-6-13(16)7-5-12/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyHMPCYIUXSHQSPM-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.30
Rot. Bonds6

About 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate

2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate (PubChem CID 89091469) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate
PubChem CID89091469
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate
SMILESC=C(C(=O)OCCOC(=O)c1ccc(O)cc1)C(C)C
InChIInChI=1S/C15H18O5/c1-10(2)11(3)14(17)19-8-9-20-15(18)12-4-6-13(16)7-5-12/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyHMPCYIUXSHQSPM-UHFFFAOYSA-N
XLogP2.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.30
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'}

Analyze 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-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

2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
CID 89122297
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
CID 118331665
2-propan-2-yloxyethyl 4-hydroxybenzoate
CID 71749586
3-methylbut-3-enyl 4-hydroxybenzoate
CID 118490878
propyl 4-hydroxybenzoate
CID 66683808
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate?
The IUPAC name of 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate (CID 89091469) is 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate?
The canonical SMILES for 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate is C=C(C(=O)OCCOC(=O)c1ccc(O)cc1)C(C)C.
What is the InChIKey of 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate?
The InChIKey is HMPCYIUXSHQSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-10(2)11(3)14(17)19-8-9-20-15(18)12-4-6-13(16)7-5-12/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate?
2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate has a molecular weight of 278.30 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate is sourced from PubChem (CID 89091469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).