4-(4-hexylanilino)phenol

C18H23NO — CID 101298409

IUPAC4-(4-hexylanilino)phenol
SMILESCCCCCCc1ccc(Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)19-17-11-13-18(20)14-12-17/h7-14,19-20H,2-6H2,1H3
InChIKeyNRAVZPICKYJIGT-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.26
Rot. Bonds7

About 4-(4-hexylanilino)phenol

4-(4-hexylanilino)phenol (PubChem CID 101298409) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(4-hexylanilino)phenol.

Molecular Properties

Compound Name4-(4-hexylanilino)phenol
PubChem CID101298409
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-(4-hexylanilino)phenol
SMILESCCCCCCc1ccc(Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)19-17-11-13-18(20)14-12-17/h7-14,19-20H,2-6H2,1H3
InChIKeyNRAVZPICKYJIGT-UHFFFAOYSA-N
XLogP5.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-decylanilino)phenol
CID 101298429
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
calcium;hydride;4-octylphenol
CID 173256756
calcium;hydride;4-tetradecylphenol
CID 174582359
barium(2+);hydride;4-nonylphenol
CID 173156845
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-(3-nonylanilino)phenol
CID 101298423
4-(3-heptadecylanilino)phenol
CID 101298463
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938

Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylanilino)phenol?
The IUPAC name of 4-(4-hexylanilino)phenol (CID 101298409) is 4-(4-hexylanilino)phenol.
What is the SMILES notation for 4-(4-hexylanilino)phenol?
The canonical SMILES for 4-(4-hexylanilino)phenol is CCCCCCc1ccc(Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hexylanilino)phenol?
The InChIKey is NRAVZPICKYJIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)19-17-11-13-18(20)14-12-17/h7-14,19-20H,2-6H2,1H3.
What are the key properties of 4-(4-hexylanilino)phenol?
4-(4-hexylanilino)phenol has a molecular weight of 269.39 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylanilino)phenol is sourced from PubChem (CID 101298409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).