1-(4-anilinophenyl)undecan-4-ol

C23H33NO — CID 101298282

IUPAC1-(4-anilinophenyl)undecan-4-ol
SMILESCCCCCCCC(O)CCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H33NO/c1-2-3-4-5-9-14-23(25)15-10-11-20-16-18-22(19-17-20)24-21-12-7-6-8-13-21/h6-8,12-13,16-19,23-25H,2-5,9-11,14-15H2,1H3
InChIKeyLKTJKPUORIURHO-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.47
Rot. Bonds12

About 1-(4-anilinophenyl)undecan-4-ol

1-(4-anilinophenyl)undecan-4-ol (PubChem CID 101298282) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-(4-anilinophenyl)undecan-4-ol.

Molecular Properties

Compound Name1-(4-anilinophenyl)undecan-4-ol
PubChem CID101298282
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name1-(4-anilinophenyl)undecan-4-ol
SMILESCCCCCCCC(O)CCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H33NO/c1-2-3-4-5-9-14-23(25)15-10-11-20-16-18-22(19-17-20)24-21-12-7-6-8-13-21/h6-8,12-13,16-19,23-25H,2-5,9-11,14-15H2,1H3
InChIKeyLKTJKPUORIURHO-UHFFFAOYSA-N
XLogP6.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-anilinophenyl)octadecan-8-ol
CID 101298383
1-(4-anilinophenyl)pentadecan-8-ol
CID 101298332
1-(4-anilinophenyl)tridecan-5-ol
CID 101298306
10-(4-anilinophenyl)decan-5-ol
CID 101298269
17-(4-anilinophenyl)heptadecan-5-ol
CID 101298360
7-(4-anilinophenyl)heptan-2-ol
CID 101298242
10-(4-anilinophenyl)decan-2-ol
CID 101298266
15-(4-anilinophenyl)pentadecan-2-ol
CID 101298326
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
1-anilinoheptacosan-13-ol
CID 151401190
4-(4-hexylanilino)phenol
CID 101298409
4-(4-decylanilino)phenol
CID 101298429

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)undecan-4-ol?
The IUPAC name of 1-(4-anilinophenyl)undecan-4-ol (CID 101298282) is 1-(4-anilinophenyl)undecan-4-ol.
What is the SMILES notation for 1-(4-anilinophenyl)undecan-4-ol?
The canonical SMILES for 1-(4-anilinophenyl)undecan-4-ol is CCCCCCCC(O)CCCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenyl)undecan-4-ol?
The InChIKey is LKTJKPUORIURHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-2-3-4-5-9-14-23(25)15-10-11-20-16-18-22(19-17-20)24-21-12-7-6-8-13-21/h6-8,12-13,16-19,23-25H,2-5,9-11,14-15H2,1H3.
What are the key properties of 1-(4-anilinophenyl)undecan-4-ol?
1-(4-anilinophenyl)undecan-4-ol has a molecular weight of 339.52 g/mol, XLogP of 6.47, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)undecan-4-ol is sourced from PubChem (CID 101298282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).