4-(4-propan-2-ylanilino)phenol

C15H17NO — CID 21326552

IUPAC4-(4-propan-2-ylanilino)phenol
SMILESCC(C)c1ccc(Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO/c1-11(2)12-3-5-13(6-4-12)16-14-7-9-15(17)10-8-14/h3-11,16-17H,1-2H3
InChIKeyYJXDPMKIBPWEMX-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.26
Rot. Bonds3

About 4-(4-propan-2-ylanilino)phenol

4-(4-propan-2-ylanilino)phenol (PubChem CID 21326552) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(4-propan-2-ylanilino)phenol.

Molecular Properties

Compound Name4-(4-propan-2-ylanilino)phenol
PubChem CID21326552
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(4-propan-2-ylanilino)phenol
SMILESCC(C)c1ccc(Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO/c1-11(2)12-3-5-13(6-4-12)16-14-7-9-15(17)10-8-14/h3-11,16-17H,1-2H3
InChIKeyYJXDPMKIBPWEMX-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
methane;4-propan-2-ylphenol
CID 159328733
4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol
CID 68948532
CID 174824648
CID 174824648
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
1-[4-[4-(1-hydroxyethyl)anilino]phenyl]ethanol
CID 18521146
2-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 14879850
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
3-(4-propan-2-ylanilino)benzene-1,2-diol
CID 171920166
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
cumene;N-phenylaniline
CID 22645781

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylanilino)phenol?
The IUPAC name of 4-(4-propan-2-ylanilino)phenol (CID 21326552) is 4-(4-propan-2-ylanilino)phenol.
What is the SMILES notation for 4-(4-propan-2-ylanilino)phenol?
The canonical SMILES for 4-(4-propan-2-ylanilino)phenol is CC(C)c1ccc(Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-propan-2-ylanilino)phenol?
The InChIKey is YJXDPMKIBPWEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(2)12-3-5-13(6-4-12)16-14-7-9-15(17)10-8-14/h3-11,16-17H,1-2H3.
What are the key properties of 4-(4-propan-2-ylanilino)phenol?
4-(4-propan-2-ylanilino)phenol has a molecular weight of 227.31 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylanilino)phenol is sourced from PubChem (CID 21326552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).