4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol

C17H20N2O — CID 141107541

IUPAC4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol
SMILESCCC(C)(C)c1ccc(O)c(/N=N/c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-4-17(2,3)13-10-11-16(20)15(12-13)19-18-14-8-6-5-7-9-14/h5-12,20H,4H2,1-3H3/b19-18+
InChIKeyUEOUVTNRDITGTR-VHEBQXMUSA-N
MW268.36 g/mol
LogP5.50
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol

4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol (PubChem CID 141107541) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol
PubChem CID141107541
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol
SMILESCCC(C)(C)c1ccc(O)c(/N=N/c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-4-17(2,3)13-10-11-16(20)15(12-13)19-18-14-8-6-5-7-9-14/h5-12,20H,4H2,1-3H3/b19-18+
InChIKeyUEOUVTNRDITGTR-VHEBQXMUSA-N
XLogP5.50
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol
CID 135787806
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
2-phenyldiazenylphenol
CID 16897
5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol
CID 101163685
1,3-bis(2-methylbutan-2-yl)benzene;phenol
CID 175328016
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
ethane;1-(4-hydroxy-3-phenyldiazenylphenyl)-4,4-dimethyl-2-(methylamino)pentan-3-one;methane;propane
CID 167695268
2-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-6-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-4-(2-methylbutan-2-yl)phenol
CID 23156052
3-methyl-2,4-bis(phenyldiazenyl)phenol
CID 165356991
(4-tert-butyl-2-iodophenyl)-phenyldiazene
CID 11325979
2-methyl-4-phenyldiazenylbenzene-1,3-diol
CID 151351632
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol (CID 141107541) is 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol is CCC(C)(C)c1ccc(O)c(/N=N/c2ccccc2)c1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol?
The InChIKey is UEOUVTNRDITGTR-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-17(2,3)13-10-11-16(20)15(12-13)19-18-14-8-6-5-7-9-14/h5-12,20H,4H2,1-3H3/b19-18+.
What are the key properties of 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol?
4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol has a molecular weight of 268.36 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol is sourced from PubChem (CID 141107541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).