1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone

C18H21NO2 — CID 102064211

IUPAC1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone
SMILESCC(=O)c1c(NC(C)(C)C)ccc(O)c1-c1ccccc1
InChIInChI=1S/C18H21NO2/c1-12(20)16-14(19-18(2,3)4)10-11-15(21)17(16)13-8-6-5-7-9-13/h5-11,19,21H,1-4H3
InChIKeyXQIQYABAKAJVNU-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.47
Rot. Bonds3

About 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone

1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone (PubChem CID 102064211) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone.

Molecular Properties

Compound Name1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone
PubChem CID102064211
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone
SMILESCC(=O)c1c(NC(C)(C)C)ccc(O)c1-c1ccccc1
InChIInChI=1S/C18H21NO2/c1-12(20)16-14(19-18(2,3)4)10-11-15(21)17(16)13-8-6-5-7-9-13/h5-11,19,21H,1-4H3
InChIKeyXQIQYABAKAJVNU-UHFFFAOYSA-N
XLogP4.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydroxy-6-phenylphenyl)ethanone
CID 173305847
2-(tert-butylamino)phenol
CID 70671108
N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline
CID 141056412
2-[2-(tert-butylamino)phenyl]acetic acid
CID 22714206
2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol
CID 22620601
3,5-dihydroxy-4-phenylbenzoic acid
CID 45116831
methyl 2-bromo-3,5-dihydroxy-6-phenylbenzoate
CID 23147058
tert-butyl (NZ)-N-[acetamido-[(3-cyano-6-hydroxy-2-phenylbenzoyl)amino]methylidene]carbamate
CID 162489174
acetic acid;1,1'-biphenyl;zinc
CID 70522083
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;2-(2-aminoethylamino)phenol
CID 162322741
4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol
CID 174711002

Frequently Asked Questions

What is the IUPAC name of 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone?
The IUPAC name of 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone (CID 102064211) is 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone.
What is the SMILES notation for 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone?
The canonical SMILES for 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone is CC(=O)c1c(NC(C)(C)C)ccc(O)c1-c1ccccc1.
What is the InChIKey of 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone?
The InChIKey is XQIQYABAKAJVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(20)16-14(19-18(2,3)4)10-11-15(21)17(16)13-8-6-5-7-9-13/h5-11,19,21H,1-4H3.
What are the key properties of 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone?
1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone has a molecular weight of 283.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone is sourced from PubChem (CID 102064211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).