[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate

C12H14O5 — CID 11694368

IUPAC[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(CCO)cc1OC(C)=O
InChIInChI=1S/C12H14O5/c1-8(14)16-11-4-3-10(5-6-13)7-12(11)17-9(2)15/h3-4,7,13H,5-6H2,1-2H3
InChIKeyBFNGYTNRQSRSFM-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.07
Rot. Bonds4

About [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate

[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate (PubChem CID 11694368) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate
PubChem CID11694368
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(CCO)cc1OC(C)=O
InChIInChI=1S/C12H14O5/c1-8(14)16-11-4-3-10(5-6-13)7-12(11)17-9(2)15/h3-4,7,13H,5-6H2,1-2H3
InChIKeyBFNGYTNRQSRSFM-UHFFFAOYSA-N
XLogP1.07
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tris[2-(3,4-diacetyloxyphenyl)ethyl]selanium
CID 71489018
[2-acetyloxy-4-[2-(methylamino)-2-oxoethyl]phenyl] acetate
CID 139641556
[2-acetyloxy-4-(2-amino-3-hydroxypropyl)phenyl] acetate
CID 170892206
[2-fluoro-5-(3-hydroxypropyl)phenyl] acetate
CID 68980533
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
[2-acetyloxy-4-[(E)-5-(3,4-diacetyloxyphenyl)-3-oxopent-4-enyl]phenyl] acetate
CID 141361443
methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
[4-[4-[4-(4-acetyloxy-3-methoxyphenyl)butoxy]butyl]-2-methoxyphenyl] acetate
CID 156696041
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
[2-acetyloxy-4-[5-(3,4-dimethylphenyl)-4-oxopentyl]phenyl] acetate
CID 58348906
[4-(2-hydroxyethyl)-2-(2-phenylpyrazol-3-yl)phenyl] acetate
CID 170887336
[2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate
CID 141220884

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate?
The IUPAC name of [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate (CID 11694368) is [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate.
What is the SMILES notation for [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate?
The canonical SMILES for [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate is CC(=O)Oc1ccc(CCO)cc1OC(C)=O.
What is the InChIKey of [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate?
The InChIKey is BFNGYTNRQSRSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(14)16-11-4-3-10(5-6-13)7-12(11)17-9(2)15/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate?
[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate has a molecular weight of 238.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate is sourced from PubChem (CID 11694368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).