2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate

C17H26O4 — CID 138660139

IUPAC2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate
SMILESCCC(C)(C)OC(=O)c1ccc(OC(C)(C)CC)cc1O
InChIInChI=1S/C17H26O4/c1-7-16(3,4)20-12-9-10-13(14(18)11-12)15(19)21-17(5,6)8-2/h9-11,18H,7-8H2,1-6H3
InChIKeyMAIWANGTTDXBPO-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.30
Rot. Bonds6

About 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate

2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate (PubChem CID 138660139) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate
PubChem CID138660139
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate
SMILESCCC(C)(C)OC(=O)c1ccc(OC(C)(C)CC)cc1O
InChIInChI=1S/C17H26O4/c1-7-16(3,4)20-12-9-10-13(14(18)11-12)15(19)21-17(5,6)8-2/h9-11,18H,7-8H2,1-6H3
InChIKeyMAIWANGTTDXBPO-UHFFFAOYSA-N
XLogP4.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylbutan-2-yl 4-acetyloxy-2-hydroxybenzoate
CID 175187817
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
2-(4-benzoyl-3-hydroxyphenoxy)-2-sulfanylbutanoic acid
CID 88738786
2-bromo-4-(2-methylbutan-2-yloxy)benzenecarbothioamide
CID 107278327
ethane;2-methylbutan-2-yl 4-(aminomethyl)-2-methylbenzoate;molecular hydrogen
CID 143346324
N'-hydroxy-2-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 81277524
2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide
CID 79467435
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
tert-butyl 4-(1-aminopropyl)-2-hydroxybenzoate
CID 66935124
(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 151405444
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
3-ethylpentan-3-yl 2,5-dihydroxybenzoate
CID 139603219

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate?
The IUPAC name of 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate (CID 138660139) is 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate.
What is the SMILES notation for 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate?
The canonical SMILES for 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate is CCC(C)(C)OC(=O)c1ccc(OC(C)(C)CC)cc1O.
What is the InChIKey of 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate?
The InChIKey is MAIWANGTTDXBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-7-16(3,4)20-12-9-10-13(14(18)11-12)15(19)21-17(5,6)8-2/h9-11,18H,7-8H2,1-6H3.
What are the key properties of 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate?
2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate has a molecular weight of 294.39 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-hydroxy-4-(2-methylbutan-2-yloxy)benzoate is sourced from PubChem (CID 138660139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).