3-(4-propan-2-ylanilino)benzene-1,2-diol

C15H17NO2 — CID 171920166

IUPAC3-(4-propan-2-ylanilino)benzene-1,2-diol
SMILESCC(C)c1ccc(Nc2cccc(O)c2O)cc1
InChIInChI=1S/C15H17NO2/c1-10(2)11-6-8-12(9-7-11)16-13-4-3-5-14(17)15(13)18/h3-10,16-18H,1-2H3
InChIKeyXJGNEWJVAJBKHW-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.96
Rot. Bonds3

About 3-(4-propan-2-ylanilino)benzene-1,2-diol

3-(4-propan-2-ylanilino)benzene-1,2-diol (PubChem CID 171920166) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(4-propan-2-ylanilino)benzene-1,2-diol.

Molecular Properties

Compound Name3-(4-propan-2-ylanilino)benzene-1,2-diol
PubChem CID171920166
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(4-propan-2-ylanilino)benzene-1,2-diol
SMILESCC(C)c1ccc(Nc2cccc(O)c2O)cc1
InChIInChI=1S/C15H17NO2/c1-10(2)11-6-8-12(9-7-11)16-13-4-3-5-14(17)15(13)18/h3-10,16-18H,1-2H3
InChIKeyXJGNEWJVAJBKHW-UHFFFAOYSA-N
XLogP3.96
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
2-fluoro-N-(4-propan-2-ylphenyl)aniline
CID 155290026
4-(4-propan-2-ylanilino)phenol
CID 21326552
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
3-ethynyl-N-(4-propan-2-ylphenyl)aniline
CID 155290560
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
cumene;N-phenylaniline
CID 22645781
6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
CID 63962569
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one
CID 89188292
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylanilino)benzene-1,2-diol?
The IUPAC name of 3-(4-propan-2-ylanilino)benzene-1,2-diol (CID 171920166) is 3-(4-propan-2-ylanilino)benzene-1,2-diol.
What is the SMILES notation for 3-(4-propan-2-ylanilino)benzene-1,2-diol?
The canonical SMILES for 3-(4-propan-2-ylanilino)benzene-1,2-diol is CC(C)c1ccc(Nc2cccc(O)c2O)cc1.
What is the InChIKey of 3-(4-propan-2-ylanilino)benzene-1,2-diol?
The InChIKey is XJGNEWJVAJBKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(2)11-6-8-12(9-7-11)16-13-4-3-5-14(17)15(13)18/h3-10,16-18H,1-2H3.
What are the key properties of 3-(4-propan-2-ylanilino)benzene-1,2-diol?
3-(4-propan-2-ylanilino)benzene-1,2-diol has a molecular weight of 243.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylanilino)benzene-1,2-diol is sourced from PubChem (CID 171920166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).