4-(4-decylanilino)phenol

C22H31NO — CID 101298429

IUPAC4-(4-decylanilino)phenol
SMILESCCCCCCCCCCc1ccc(Nc2ccc(O)cc2)cc1
InChIInChI=1S/C22H31NO/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)23-21-15-17-22(24)18-16-21/h11-18,23-24H,2-10H2,1H3
InChIKeySWAUZZUGBIGWLQ-UHFFFAOYSA-N
MW325.50 g/mol
LogP6.82
Rot. Bonds11

About 4-(4-decylanilino)phenol

4-(4-decylanilino)phenol (PubChem CID 101298429) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 4-(4-decylanilino)phenol.

Molecular Properties

Compound Name4-(4-decylanilino)phenol
PubChem CID101298429
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name4-(4-decylanilino)phenol
SMILESCCCCCCCCCCc1ccc(Nc2ccc(O)cc2)cc1
InChIInChI=1S/C22H31NO/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)23-21-15-17-22(24)18-16-21/h11-18,23-24H,2-10H2,1H3
InChIKeySWAUZZUGBIGWLQ-UHFFFAOYSA-N
XLogP6.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.82
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-hexylanilino)phenol
CID 101298409
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-decylanilino)phenol?
The IUPAC name of 4-(4-decylanilino)phenol (CID 101298429) is 4-(4-decylanilino)phenol.
What is the SMILES notation for 4-(4-decylanilino)phenol?
The canonical SMILES for 4-(4-decylanilino)phenol is CCCCCCCCCCc1ccc(Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-decylanilino)phenol?
The InChIKey is SWAUZZUGBIGWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)23-21-15-17-22(24)18-16-21/h11-18,23-24H,2-10H2,1H3.
What are the key properties of 4-(4-decylanilino)phenol?
4-(4-decylanilino)phenol has a molecular weight of 325.50 g/mol, XLogP of 6.82, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-decylanilino)phenol is sourced from PubChem (CID 101298429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).