(4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate

C20H24O4 — CID 5123968

IUPAC(4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate
SMILESCc1cc(C(C)(C)C)cc(C)c1COC(=O)c1ccc(O)cc1O
InChIInChI=1S/C20H24O4/c1-12-8-14(20(3,4)5)9-13(2)17(12)11-24-19(23)16-7-6-15(21)10-18(16)22/h6-10,21-22H,11H2,1-5H3
InChIKeyQZWCXMBPIBSMGI-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.37
Rot. Bonds3

About (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate

(4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate (PubChem CID 5123968) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name(4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate
PubChem CID5123968
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate
SMILESCc1cc(C(C)(C)C)cc(C)c1COC(=O)c1ccc(O)cc1O
InChIInChI=1S/C20H24O4/c1-12-8-14(20(3,4)5)9-13(2)17(12)11-24-19(23)16-7-6-15(21)10-18(16)22/h6-10,21-22H,11H2,1-5H3
InChIKeyQZWCXMBPIBSMGI-UHFFFAOYSA-N
XLogP4.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butyl-2,6-dimethylphenyl)methyl 2-hydroxy-4-methylbenzoate
CID 4222789
(4-tert-butyl-2,6-dimethylphenyl)methyl 3-hydroxybenzoate
CID 23850196
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate
CID 7487725
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,6-dimethoxybenzoate
CID 3500563
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
(3,5-ditert-butylphenyl)-(2,4-dihydroxyphenyl)methanone
CID 18186012
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
CID 8954351
(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone
CID 69457104
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 3993982
(4-tert-butyl-2,6-dimethylphenyl)methyl 3,4,5-trimethoxybenzoate
CID 2425617
[2-(3,4-dimethylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536650
2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
CID 139593761

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate?
The IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate (CID 5123968) is (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate.
What is the SMILES notation for (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate?
The canonical SMILES for (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate is Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1ccc(O)cc1O.
What is the InChIKey of (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate?
The InChIKey is QZWCXMBPIBSMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-12-8-14(20(3,4)5)9-13(2)17(12)11-24-19(23)16-7-6-15(21)10-18(16)22/h6-10,21-22H,11H2,1-5H3.
What are the key properties of (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate?
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate has a molecular weight of 328.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate is sourced from PubChem (CID 5123968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).