2-propan-2-yloxyethyl 4-hydroxybenzoate

C12H16O4 — CID 71749586

IUPAC2-propan-2-yloxyethyl 4-hydroxybenzoate
SMILESCC(C)OCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H16O4/c1-9(2)15-7-8-16-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyCRXJLEAZEPTTOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.97
Rot. Bonds5

About 2-propan-2-yloxyethyl 4-hydroxybenzoate

2-propan-2-yloxyethyl 4-hydroxybenzoate (PubChem CID 71749586) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 4-hydroxybenzoate
PubChem CID71749586
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-propan-2-yloxyethyl 4-hydroxybenzoate
SMILESCC(C)OCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H16O4/c1-9(2)15-7-8-16-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyCRXJLEAZEPTTOO-UHFFFAOYSA-N
XLogP1.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyethyl 4-ethoxybenzoate
CID 78790018
propyl 4-hydroxybenzoate
CID 66683808
2-(3-methyl-2-methylidenebutanoyl)oxyethyl 4-hydroxybenzoate
CID 89091469
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
2-propan-2-yloxyethyl 3-amino-4-methoxybenzoate
CID 61308324
[4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-3-methylbutyl] 4-hydroxybenzoate
CID 126624306

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 4-hydroxybenzoate?
The IUPAC name of 2-propan-2-yloxyethyl 4-hydroxybenzoate (CID 71749586) is 2-propan-2-yloxyethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 4-hydroxybenzoate?
The canonical SMILES for 2-propan-2-yloxyethyl 4-hydroxybenzoate is CC(C)OCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-propan-2-yloxyethyl 4-hydroxybenzoate?
The InChIKey is CRXJLEAZEPTTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-9(2)15-7-8-16-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 2-propan-2-yloxyethyl 4-hydroxybenzoate?
2-propan-2-yloxyethyl 4-hydroxybenzoate has a molecular weight of 224.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 4-hydroxybenzoate is sourced from PubChem (CID 71749586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).