[2,3-di(propan-2-yloxy)phenyl] acetate

C14H20O4 — CID 19833391

IUPAC[2,3-di(propan-2-yloxy)phenyl] acetate
SMILESCC(=O)Oc1cccc(OC(C)C)c1OC(C)C
InChIInChI=1S/C14H20O4/c1-9(2)16-12-7-6-8-13(18-11(5)15)14(12)17-10(3)4/h6-10H,1-5H3
InChIKeyDSAIUQCUZSRUFX-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.19
Rot. Bonds5

About [2,3-di(propan-2-yloxy)phenyl] acetate

[2,3-di(propan-2-yloxy)phenyl] acetate (PubChem CID 19833391) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [2,3-di(propan-2-yloxy)phenyl] acetate.

Molecular Properties

Compound Name[2,3-di(propan-2-yloxy)phenyl] acetate
PubChem CID19833391
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[2,3-di(propan-2-yloxy)phenyl] acetate
SMILESCC(=O)Oc1cccc(OC(C)C)c1OC(C)C
InChIInChI=1S/C14H20O4/c1-9(2)16-12-7-6-8-13(18-11(5)15)14(12)17-10(3)4/h6-10H,1-5H3
InChIKeyDSAIUQCUZSRUFX-UHFFFAOYSA-N
XLogP3.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,3-di(propan-2-yloxy)phenyl] acetate 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-ethyl-3-propan-2-yloxyphenyl) acetate
CID 151326278
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone
CID 83918556
CID 18764013
CID 18764013
[2,3-di(propan-2-yloxy)phenyl]phosphane
CID 21468187
(2-propan-2-yloxyphenyl) 2-hydroxyacetate
CID 159030551
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
(6-propan-2-ylnaphthalen-1-yl) acetate
CID 66701669
(5-hydroxy-2-oxo-4-propan-2-yloxychromen-3-yl) acetate
CID 19930143
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
triphenylen-1-yl acetate
CID 87276472

Frequently Asked Questions

What is the IUPAC name of [2,3-di(propan-2-yloxy)phenyl] acetate?
The IUPAC name of [2,3-di(propan-2-yloxy)phenyl] acetate (CID 19833391) is [2,3-di(propan-2-yloxy)phenyl] acetate.
What is the SMILES notation for [2,3-di(propan-2-yloxy)phenyl] acetate?
The canonical SMILES for [2,3-di(propan-2-yloxy)phenyl] acetate is CC(=O)Oc1cccc(OC(C)C)c1OC(C)C.
What is the InChIKey of [2,3-di(propan-2-yloxy)phenyl] acetate?
The InChIKey is DSAIUQCUZSRUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9(2)16-12-7-6-8-13(18-11(5)15)14(12)17-10(3)4/h6-10H,1-5H3.
What are the key properties of [2,3-di(propan-2-yloxy)phenyl] acetate?
[2,3-di(propan-2-yloxy)phenyl] acetate has a molecular weight of 252.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-di(propan-2-yloxy)phenyl] acetate is sourced from PubChem (CID 19833391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).