4-(3-nonylanilino)phenol

C21H29NO — CID 101298423

IUPAC4-(3-nonylanilino)phenol
SMILESCCCCCCCCCc1cccc(Nc2ccc(O)cc2)c1
InChIInChI=1S/C21H29NO/c1-2-3-4-5-6-7-8-10-18-11-9-12-20(17-18)22-19-13-15-21(23)16-14-19/h9,11-17,22-23H,2-8,10H2,1H3
InChIKeyAPTCFBXMGHGPOX-UHFFFAOYSA-N
MW311.47 g/mol
LogP6.43
Rot. Bonds10

About 4-(3-nonylanilino)phenol

4-(3-nonylanilino)phenol (PubChem CID 101298423) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-(3-nonylanilino)phenol.

Molecular Properties

Compound Name4-(3-nonylanilino)phenol
PubChem CID101298423
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name4-(3-nonylanilino)phenol
SMILESCCCCCCCCCc1cccc(Nc2ccc(O)cc2)c1
InChIInChI=1S/C21H29NO/c1-2-3-4-5-6-7-8-10-18-11-9-12-20(17-18)22-19-13-15-21(23)16-14-19/h9,11-17,22-23H,2-8,10H2,1H3
InChIKeyAPTCFBXMGHGPOX-UHFFFAOYSA-N
XLogP6.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 56.43
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-(3-heptadecylanilino)phenol
CID 101298463
4-(4-hexylanilino)phenol
CID 101298409
4-(4-decylanilino)phenol
CID 101298429
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
1,3-di(tetradecyl)benzene
CID 91053224
benzene-1,3-diol;4-dodecylphenol
CID 159325714
3,5-didecyl-N-(4-decylphenyl)aniline
CID 102438287
benzene-1,3-diol;4-nonylphenol
CID 159380657
(3-pentylphenyl)hydrazine
CID 70445583
N-(3-butylphenyl)-3,5-dichloroaniline
CID 91412657
4-anilino-3-octylphenol
CID 101298415

Frequently Asked Questions

What is the IUPAC name of 4-(3-nonylanilino)phenol?
The IUPAC name of 4-(3-nonylanilino)phenol (CID 101298423) is 4-(3-nonylanilino)phenol.
What is the SMILES notation for 4-(3-nonylanilino)phenol?
The canonical SMILES for 4-(3-nonylanilino)phenol is CCCCCCCCCc1cccc(Nc2ccc(O)cc2)c1.
What is the InChIKey of 4-(3-nonylanilino)phenol?
The InChIKey is APTCFBXMGHGPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-2-3-4-5-6-7-8-10-18-11-9-12-20(17-18)22-19-13-15-21(23)16-14-19/h9,11-17,22-23H,2-8,10H2,1H3.
What are the key properties of 4-(3-nonylanilino)phenol?
4-(3-nonylanilino)phenol has a molecular weight of 311.47 g/mol, XLogP of 6.43, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nonylanilino)phenol is sourced from PubChem (CID 101298423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).