(2-ethyl-3-propan-2-yloxyphenyl) acetate

C13H18O3 — CID 151326278

IUPAC(2-ethyl-3-propan-2-yloxyphenyl) acetate
SMILESCCc1c(OC(C)=O)cccc1OC(C)C
InChIInChI=1S/C13H18O3/c1-5-11-12(15-9(2)3)7-6-8-13(11)16-10(4)14/h6-9H,5H2,1-4H3
InChIKeyOHMWSQJFPLEJFF-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.96
Rot. Bonds4

About (2-ethyl-3-propan-2-yloxyphenyl) acetate

(2-ethyl-3-propan-2-yloxyphenyl) acetate (PubChem CID 151326278) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2-ethyl-3-propan-2-yloxyphenyl) acetate.

Molecular Properties

Compound Name(2-ethyl-3-propan-2-yloxyphenyl) acetate
PubChem CID151326278
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2-ethyl-3-propan-2-yloxyphenyl) acetate
SMILESCCc1c(OC(C)=O)cccc1OC(C)C
InChIInChI=1S/C13H18O3/c1-5-11-12(15-9(2)3)7-6-8-13(11)16-10(4)14/h6-9H,5H2,1-4H3
InChIKeyOHMWSQJFPLEJFF-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-ethyl-3-propan-2-yloxyphenyl) 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

[2,3-di(propan-2-yloxy)phenyl] acetate
CID 19833391
2-ethyl-1-propan-2-yloxy-3-prop-1-enylbenzene
CID 90838901
[2-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
CID 67136158
2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
CID 83903987
(3-hydroxy-2-pentylphenyl) acetate
CID 69325371
(2-propan-2-yloxyphenyl) 2-hydroxyacetate
CID 159030551
(2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate
CID 141429997
(2-ethyl-3-fluoro-4-methoxyphenyl) acetate
CID 18466568
ethyl 3-(2-amino-6-propan-2-yloxyphenyl)propanoate
CID 174461340
(2,3-diethoxyphenyl) acetate
CID 19833387
3-ethyl-2-methyl-4-propan-2-yloxyphenol
CID 162375077
(2-acetyloxy-3,4-diethylphenyl) acetate
CID 18540629

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-propan-2-yloxyphenyl) acetate?
The IUPAC name of (2-ethyl-3-propan-2-yloxyphenyl) acetate (CID 151326278) is (2-ethyl-3-propan-2-yloxyphenyl) acetate.
What is the SMILES notation for (2-ethyl-3-propan-2-yloxyphenyl) acetate?
The canonical SMILES for (2-ethyl-3-propan-2-yloxyphenyl) acetate is CCc1c(OC(C)=O)cccc1OC(C)C.
What is the InChIKey of (2-ethyl-3-propan-2-yloxyphenyl) acetate?
The InChIKey is OHMWSQJFPLEJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-5-11-12(15-9(2)3)7-6-8-13(11)16-10(4)14/h6-9H,5H2,1-4H3.
What are the key properties of (2-ethyl-3-propan-2-yloxyphenyl) acetate?
(2-ethyl-3-propan-2-yloxyphenyl) acetate has a molecular weight of 222.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-propan-2-yloxyphenyl) acetate is sourced from PubChem (CID 151326278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).