3-amino-2,5-ditert-butylbenzene-1,4-diol

C14H23NO2 — CID 86244244

IUPAC3-amino-2,5-ditert-butylbenzene-1,4-diol
SMILESCC(C)(C)c1cc(O)c(C(C)(C)C)c(N)c1O
InChIInChI=1S/C14H23NO2/c1-13(2,3)8-7-9(16)10(14(4,5)6)11(15)12(8)17/h7,16-17H,15H2,1-6H3
InChIKeyJTAGGNFCOGELMU-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.28
Rot. Bonds

About 3-amino-2,5-ditert-butylbenzene-1,4-diol

3-amino-2,5-ditert-butylbenzene-1,4-diol (PubChem CID 86244244) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-amino-2,5-ditert-butylbenzene-1,4-diol.

Molecular Properties

Compound Name3-amino-2,5-ditert-butylbenzene-1,4-diol
PubChem CID86244244
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-amino-2,5-ditert-butylbenzene-1,4-diol
SMILESCC(C)(C)c1cc(O)c(C(C)(C)C)c(N)c1O
InChIInChI=1S/C14H23NO2/c1-13(2,3)8-7-9(16)10(14(4,5)6)11(15)12(8)17/h7,16-17H,15H2,1-6H3
InChIKeyJTAGGNFCOGELMU-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,3-ditert-butylphenol
CID 126738766
2-(3-aminopropyl)-3,5-ditert-butylbenzene-1,4-diol
CID 71488404
2-amino-5-[2-(4-amino-2,5-ditert-butyl-3-hydroxyphenoxy)phenoxy]-3,6-ditert-butylphenol
CID 139938732
2,6-ditert-butyl-3-methyl-4-sulfanylphenol
CID 91874561
3-tert-butyl-2,5,6-trihydroxybenzoic acid
CID 130287013
2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol
CID 2129750
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
4-tert-butyl-2,3,6-trihydroxybenzenesulfonic acid
CID 130286396
4-(2-amino-1-hydroxypropyl)-2,6-ditert-butylphenol
CID 43209074
2-tert-butyl-5-ethylbenzene-1,4-diol
CID 13097614

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-ditert-butylbenzene-1,4-diol?
The IUPAC name of 3-amino-2,5-ditert-butylbenzene-1,4-diol (CID 86244244) is 3-amino-2,5-ditert-butylbenzene-1,4-diol.
What is the SMILES notation for 3-amino-2,5-ditert-butylbenzene-1,4-diol?
The canonical SMILES for 3-amino-2,5-ditert-butylbenzene-1,4-diol is CC(C)(C)c1cc(O)c(C(C)(C)C)c(N)c1O.
What is the InChIKey of 3-amino-2,5-ditert-butylbenzene-1,4-diol?
The InChIKey is JTAGGNFCOGELMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)8-7-9(16)10(14(4,5)6)11(15)12(8)17/h7,16-17H,15H2,1-6H3.
What are the key properties of 3-amino-2,5-ditert-butylbenzene-1,4-diol?
3-amino-2,5-ditert-butylbenzene-1,4-diol has a molecular weight of 237.34 g/mol, XLogP of 3.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-ditert-butylbenzene-1,4-diol is sourced from PubChem (CID 86244244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).