2-(3-tert-butylphenoxy)ethyl acetate

C14H20O3 — CID 20619578

IUPAC2-(3-tert-butylphenoxy)ethyl acetate
SMILESCC(=O)OCCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H20O3/c1-11(15)16-8-9-17-13-7-5-6-12(10-13)14(2,3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyMOATXZQFDRCPFT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.93
Rot. Bonds4

About 2-(3-tert-butylphenoxy)ethyl acetate

2-(3-tert-butylphenoxy)ethyl acetate (PubChem CID 20619578) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)ethyl acetate.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)ethyl acetate
PubChem CID20619578
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(3-tert-butylphenoxy)ethyl acetate
SMILESCC(=O)OCCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H20O3/c1-11(15)16-8-9-17-13-7-5-6-12(10-13)14(2,3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyMOATXZQFDRCPFT-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
1-(3-tert-butylphenoxy)-4-methylpentan-3-one
CID 39351110
tert-butyl 3-(3-tert-butylphenoxy)propanoate
CID 116659158
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 64815058
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
CID 43169674
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678
3-(3-tert-butylphenoxy)propanimidamide
CID 43351835
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)ethyl acetate?
The IUPAC name of 2-(3-tert-butylphenoxy)ethyl acetate (CID 20619578) is 2-(3-tert-butylphenoxy)ethyl acetate.
What is the SMILES notation for 2-(3-tert-butylphenoxy)ethyl acetate?
The canonical SMILES for 2-(3-tert-butylphenoxy)ethyl acetate is CC(=O)OCCOc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)ethyl acetate?
The InChIKey is MOATXZQFDRCPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(15)16-8-9-17-13-7-5-6-12(10-13)14(2,3)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 2-(3-tert-butylphenoxy)ethyl acetate?
2-(3-tert-butylphenoxy)ethyl acetate has a molecular weight of 236.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)ethyl acetate is sourced from PubChem (CID 20619578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).