[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate

C26H28O2 — CID 101088092

IUPAC[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
SMILESCC(=O)Oc1c(-c2ccccc2C(C)C)cccc1-c1ccccc1C(C)C
InChIInChI=1S/C26H28O2/c1-17(2)20-11-6-8-13-22(20)24-15-10-16-25(26(24)28-19(5)27)23-14-9-7-12-21(23)18(3)4/h6-18H,1-5H3
InChIKeyXBKDLMLDHJUFBA-UHFFFAOYSA-N
MW372.51 g/mol
LogP7.19
Rot. Bonds5

About [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate

[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate (PubChem CID 101088092) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate.

Molecular Properties

Compound Name[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
PubChem CID101088092
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
SMILESCC(=O)Oc1c(-c2ccccc2C(C)C)cccc1-c1ccccc1C(C)C
InChIInChI=1S/C26H28O2/c1-17(2)20-11-6-8-13-22(20)24-15-10-16-25(26(24)28-19(5)27)23-14-9-7-12-21(23)18(3)4/h6-18H,1-5H3
InChIKeyXBKDLMLDHJUFBA-UHFFFAOYSA-N
XLogP7.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 57.19
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) acetate
CID 172616842
2-methoxy-3-(2-propan-2-ylphenyl)benzenethiol
CID 57213762
[2-[[2-acetyloxy-3-[bis(2-acetyloxyphenyl)methyl]phenyl]-(2-acetyloxyphenyl)methyl]phenyl] acetate
CID 59317424
(5-propan-2-ylnaphthalen-2-yl) acetate
CID 23110894
1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766
(2,6-dihydroxyphenyl) acetate
CID 19910305
(3-phenyl-2-propan-2-ylphenyl) acetate
CID 69300193
(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
CID 15294322
1,2-di(propan-2-yl)-3-(2-propan-2-ylphenyl)benzene;gold(1+);chloride
CID 90072599
[2,6-di(propan-2-yl)phenoxy]sulfonyl acetate
CID 57208791
1-[5-(2-propan-2-ylphenyl)furan-2-yl]ethanone
CID 62500184
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate?
The IUPAC name of [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate (CID 101088092) is [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate.
What is the SMILES notation for [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate?
The canonical SMILES for [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate is CC(=O)Oc1c(-c2ccccc2C(C)C)cccc1-c1ccccc1C(C)C.
What is the InChIKey of [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate?
The InChIKey is XBKDLMLDHJUFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2/c1-17(2)20-11-6-8-13-22(20)24-15-10-16-25(26(24)28-19(5)27)23-14-9-7-12-21(23)18(3)4/h6-18H,1-5H3.
What are the key properties of [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate?
[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate has a molecular weight of 372.51 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(2-propan-2-ylphenyl)phenyl] acetate is sourced from PubChem (CID 101088092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).