(2-ethoxy-4-hydroxyphenyl) propaneperoxoate

C11H14O5 — CID 18473891

IUPAC(2-ethoxy-4-hydroxyphenyl) propaneperoxoate
SMILESCCOc1cc(O)ccc1OOC(=O)CC
InChIInChI=1S/C11H14O5/c1-3-11(13)16-15-9-6-5-8(12)7-10(9)14-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyHFLGOHVCOHIUGI-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.04
Rot. Bonds5

About (2-ethoxy-4-hydroxyphenyl) propaneperoxoate

(2-ethoxy-4-hydroxyphenyl) propaneperoxoate (PubChem CID 18473891) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2-ethoxy-4-hydroxyphenyl) propaneperoxoate.

Molecular Properties

Compound Name(2-ethoxy-4-hydroxyphenyl) propaneperoxoate
PubChem CID18473891
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(2-ethoxy-4-hydroxyphenyl) propaneperoxoate
SMILESCCOc1cc(O)ccc1OOC(=O)CC
InChIInChI=1S/C11H14O5/c1-3-11(13)16-15-9-6-5-8(12)7-10(9)14-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyHFLGOHVCOHIUGI-UHFFFAOYSA-N
XLogP2.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis(3,4-diethoxyphenyl)methanone
CID 135325793
2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid
CID 68831855
(2-chloro-5-hydroxyphenyl) propanoate
CID 101441480
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one
CID 131365350
3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol
CID 70566041
3-(bromomethyl)-4-ethoxyphenol
CID 141197912
4-ethoxy-3-hydrazinylphenol
CID 131054436
4-ethoxy-3-ethynylphenol
CID 87439266
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
4-ethoxy-3-prop-1-enylphenol
CID 67507347

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-4-hydroxyphenyl) propaneperoxoate?
The IUPAC name of (2-ethoxy-4-hydroxyphenyl) propaneperoxoate (CID 18473891) is (2-ethoxy-4-hydroxyphenyl) propaneperoxoate.
What is the SMILES notation for (2-ethoxy-4-hydroxyphenyl) propaneperoxoate?
The canonical SMILES for (2-ethoxy-4-hydroxyphenyl) propaneperoxoate is CCOc1cc(O)ccc1OOC(=O)CC.
What is the InChIKey of (2-ethoxy-4-hydroxyphenyl) propaneperoxoate?
The InChIKey is HFLGOHVCOHIUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-3-11(13)16-15-9-6-5-8(12)7-10(9)14-4-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of (2-ethoxy-4-hydroxyphenyl) propaneperoxoate?
(2-ethoxy-4-hydroxyphenyl) propaneperoxoate has a molecular weight of 226.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-4-hydroxyphenyl) propaneperoxoate is sourced from PubChem (CID 18473891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).