2-(4-ethoxyphenyl)propan-2-yl acetate

C13H18O3 — CID 129179659

IUPAC2-(4-ethoxyphenyl)propan-2-yl acetate
SMILESCCOc1ccc(C(C)(C)OC(C)=O)cc1
InChIInChI=1S/C13H18O3/c1-5-15-12-8-6-11(7-9-12)13(3,4)16-10(2)14/h6-9H,5H2,1-4H3
InChIKeyNTLCGPVECOQHFZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.88
Rot. Bonds4

About 2-(4-ethoxyphenyl)propan-2-yl acetate

2-(4-ethoxyphenyl)propan-2-yl acetate (PubChem CID 129179659) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)propan-2-yl acetate.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)propan-2-yl acetate
PubChem CID129179659
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(4-ethoxyphenyl)propan-2-yl acetate
SMILESCCOc1ccc(C(C)(C)OC(C)=O)cc1
InChIInChI=1S/C13H18O3/c1-5-15-12-8-6-11(7-9-12)13(3,4)16-10(2)14/h6-9H,5H2,1-4H3
InChIKeyNTLCGPVECOQHFZ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
2-(4-chlorophenyl)propan-2-yl acetate
CID 23447101
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
[3-acetyloxy-2,3-bis(4-butoxyphenyl)butan-2-yl] acetate
CID 139891609
methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 21348092
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
(4-ethoxyanilino) acetate
CID 71333792
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
3-(4-ethoxyphenyl)-3-(ethylamino)butanoic acid
CID 65233871

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)propan-2-yl acetate?
The IUPAC name of 2-(4-ethoxyphenyl)propan-2-yl acetate (CID 129179659) is 2-(4-ethoxyphenyl)propan-2-yl acetate.
What is the SMILES notation for 2-(4-ethoxyphenyl)propan-2-yl acetate?
The canonical SMILES for 2-(4-ethoxyphenyl)propan-2-yl acetate is CCOc1ccc(C(C)(C)OC(C)=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)propan-2-yl acetate?
The InChIKey is NTLCGPVECOQHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-5-15-12-8-6-11(7-9-12)13(3,4)16-10(2)14/h6-9H,5H2,1-4H3.
What are the key properties of 2-(4-ethoxyphenyl)propan-2-yl acetate?
2-(4-ethoxyphenyl)propan-2-yl acetate has a molecular weight of 222.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)propan-2-yl acetate is sourced from PubChem (CID 129179659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).