2-(4-tert-butylphenoxy)benzoate

C17H17O3- — CID 22015143

IUPAC2-(4-tert-butylphenoxy)benzoate
SMILESCC(C)(C)c1ccc(Oc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-15-7-5-4-6-14(15)16(18)19/h4-11H,1-3H3,(H,18,19)/p-1
InChIKeyONDALFICRVVSFR-UHFFFAOYSA-M
MW269.32 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-tert-butylphenoxy)benzoate

2-(4-tert-butylphenoxy)benzoate (PubChem CID 22015143) has the molecular formula C17H17O3- and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)benzoate.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)benzoate
PubChem CID22015143
Molecular FormulaC17H17O3-
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-(4-tert-butylphenoxy)benzoate
SMILESCC(C)(C)c1ccc(Oc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-15-7-5-4-6-14(15)16(18)19/h4-11H,1-3H3,(H,18,19)/p-1
InChIKeyONDALFICRVVSFR-UHFFFAOYSA-M
XLogP3.14
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenoxyphenoxy)benzoate
CID 6946814
2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54137319
calcium bis(2-[(2-methylpropan-2-yl)oxy]benzoate)
CID 141091959
zinc;bis(2-(4-carboxyphenoxy)benzoate);bis(4-pyridin-4-ylpyridine);hydrate
CID 139199941
2-(4-tert-butylphenoxy)aniline
CID 26189124
2-methoxybenzoate;hydrochloride
CID 18793456
zinc bis(2-butoxybenzoate)
CID 67242742
1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250
1-[2-[4-[1-[4-(2-acetylphenoxy)phenyl]-1,2,2,3,3,3-hexafluoropropyl]phenoxy]phenyl]ethanone
CID 57065499
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
magnesium;4-tert-butylbenzoate;2-methylbenzoate
CID 139776213
2-(trifluoromethoxy)benzoate
CID 6933714

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)benzoate?
The IUPAC name of 2-(4-tert-butylphenoxy)benzoate (CID 22015143) is 2-(4-tert-butylphenoxy)benzoate.
What is the SMILES notation for 2-(4-tert-butylphenoxy)benzoate?
The canonical SMILES for 2-(4-tert-butylphenoxy)benzoate is CC(C)(C)c1ccc(Oc2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)benzoate?
The InChIKey is ONDALFICRVVSFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-15-7-5-4-6-14(15)16(18)19/h4-11H,1-3H3,(H,18,19)/p-1.
What are the key properties of 2-(4-tert-butylphenoxy)benzoate?
2-(4-tert-butylphenoxy)benzoate has a molecular weight of 269.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)benzoate is sourced from PubChem (CID 22015143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).