(2-butan-2-yl-6-propan-2-ylphenyl) acetate

C15H22O2 — CID 172616842

IUPAC(2-butan-2-yl-6-propan-2-ylphenyl) acetate
SMILESCCC(C)c1cccc(C(C)C)c1OC(C)=O
InChIInChI=1S/C15H22O2/c1-6-11(4)14-9-7-8-13(10(2)3)15(14)17-12(5)16/h7-11H,6H2,1-5H3
InChIKeyMRNRQTDPWIAYSS-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.25
Rot. Bonds4

About (2-butan-2-yl-6-propan-2-ylphenyl) acetate

(2-butan-2-yl-6-propan-2-ylphenyl) acetate (PubChem CID 172616842) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2-butan-2-yl-6-propan-2-ylphenyl) acetate.

Molecular Properties

Compound Name(2-butan-2-yl-6-propan-2-ylphenyl) acetate
PubChem CID172616842
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2-butan-2-yl-6-propan-2-ylphenyl) acetate
SMILESCCC(C)c1cccc(C(C)C)c1OC(C)=O
InChIInChI=1S/C15H22O2/c1-6-11(4)14-9-7-8-13(10(2)3)15(14)17-12(5)16/h7-11H,6H2,1-5H3
InChIKeyMRNRQTDPWIAYSS-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
CID 59509797
[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
CID 101088092
(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate
CID 58078988
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
(5-propan-2-ylnaphthalen-2-yl) acetate
CID 23110894
[2-[[2-acetyloxy-3-[bis(2-acetyloxyphenyl)methyl]phenyl]-(2-acetyloxyphenyl)methyl]phenyl] acetate
CID 59317424
2-acetyloxy-3-(1-aminopropyl)benzoic acid
CID 68635427
(4-acetyloxy-2-butan-2-yl-3-methoxynaphthalen-1-yl) acetate
CID 19872930
[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
CID 67493330
(2,6-diethylphenyl) acetate
CID 23273842
[2-butan-2-yl-4,6-bis(dihydroxyamino)phenyl] acetate
CID 163139037
ethyl 2,6-di(butan-2-yl)benzoate
CID 166060027

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-6-propan-2-ylphenyl) acetate?
The IUPAC name of (2-butan-2-yl-6-propan-2-ylphenyl) acetate (CID 172616842) is (2-butan-2-yl-6-propan-2-ylphenyl) acetate.
What is the SMILES notation for (2-butan-2-yl-6-propan-2-ylphenyl) acetate?
The canonical SMILES for (2-butan-2-yl-6-propan-2-ylphenyl) acetate is CCC(C)c1cccc(C(C)C)c1OC(C)=O.
What is the InChIKey of (2-butan-2-yl-6-propan-2-ylphenyl) acetate?
The InChIKey is MRNRQTDPWIAYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-11(4)14-9-7-8-13(10(2)3)15(14)17-12(5)16/h7-11H,6H2,1-5H3.
What are the key properties of (2-butan-2-yl-6-propan-2-ylphenyl) acetate?
(2-butan-2-yl-6-propan-2-ylphenyl) acetate has a molecular weight of 234.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-6-propan-2-ylphenyl) acetate is sourced from PubChem (CID 172616842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).