benzyl 3-tert-butyl-5-hydroxybenzoate

C18H20O3 — CID 178098727

IUPACbenzyl 3-tert-butyl-5-hydroxybenzoate
SMILESCC(C)(C)c1cc(O)cc(C(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-18(2,3)15-9-14(10-16(19)11-15)17(20)21-12-13-7-5-4-6-8-13/h4-11,19H,12H2,1-3H3
InChIKeyUEGBYTAUZVHZQL-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.05
Rot. Bonds3

About benzyl 3-tert-butyl-5-hydroxybenzoate

benzyl 3-tert-butyl-5-hydroxybenzoate (PubChem CID 178098727) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is benzyl 3-tert-butyl-5-hydroxybenzoate.

Molecular Properties

Compound Namebenzyl 3-tert-butyl-5-hydroxybenzoate
PubChem CID178098727
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namebenzyl 3-tert-butyl-5-hydroxybenzoate
SMILESCC(C)(C)c1cc(O)cc(C(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-18(2,3)15-9-14(10-16(19)11-15)17(20)21-12-13-7-5-4-6-8-13/h4-11,19H,12H2,1-3H3
InChIKeyUEGBYTAUZVHZQL-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-tert-butylbenzoate
CID 59132221
(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate
CID 137442324
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
benzyl 3,5-dimethylbenzoate
CID 54359872
benzyl 3-hydroxybenzoate
CID 11736317
benzyl 3-hydroxy-5-[2-[2-(3-hydroxy-5-phenylmethoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 146540375
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750
benzyl benzoate
CID 2345
1-O-benzyl 3-O-tert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 11645573
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
tris((3,5-ditert-butyl-4-hydroxyphenyl)methyl benzoate);phosphorous acid
CID 175341623
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908

Frequently Asked Questions

What is the IUPAC name of benzyl 3-tert-butyl-5-hydroxybenzoate?
The IUPAC name of benzyl 3-tert-butyl-5-hydroxybenzoate (CID 178098727) is benzyl 3-tert-butyl-5-hydroxybenzoate.
What is the SMILES notation for benzyl 3-tert-butyl-5-hydroxybenzoate?
The canonical SMILES for benzyl 3-tert-butyl-5-hydroxybenzoate is CC(C)(C)c1cc(O)cc(C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 3-tert-butyl-5-hydroxybenzoate?
The InChIKey is UEGBYTAUZVHZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2,3)15-9-14(10-16(19)11-15)17(20)21-12-13-7-5-4-6-8-13/h4-11,19H,12H2,1-3H3.
What are the key properties of benzyl 3-tert-butyl-5-hydroxybenzoate?
benzyl 3-tert-butyl-5-hydroxybenzoate has a molecular weight of 284.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-tert-butyl-5-hydroxybenzoate is sourced from PubChem (CID 178098727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).