12-(4-anilinophenyl)dodecan-1-ol

C24H35NO — CID 101298286

IUPAC12-(4-anilinophenyl)dodecan-1-ol
SMILESOCCCCCCCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H35NO/c26-21-13-8-6-4-2-1-3-5-7-10-14-22-17-19-24(20-18-22)25-23-15-11-9-12-16-23/h9,11-12,15-20,25-26H,1-8,10,13-14,21H2
InChIKeyDMRYAJIUIAHCGT-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.87
Rot. Bonds14

About 12-(4-anilinophenyl)dodecan-1-ol

12-(4-anilinophenyl)dodecan-1-ol (PubChem CID 101298286) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 12-(4-anilinophenyl)dodecan-1-ol.

Molecular Properties

Compound Name12-(4-anilinophenyl)dodecan-1-ol
PubChem CID101298286
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name12-(4-anilinophenyl)dodecan-1-ol
SMILESOCCCCCCCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H35NO/c26-21-13-8-6-4-2-1-3-5-7-10-14-22-17-19-24(20-18-22)25-23-15-11-9-12-16-23/h9,11-12,15-20,25-26H,1-8,10,13-14,21H2
InChIKeyDMRYAJIUIAHCGT-UHFFFAOYSA-N
XLogP6.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.87
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

7-(4-anilinophenyl)heptan-2-ol
CID 101298242
15-(4-anilinophenyl)pentadecan-2-ol
CID 101298326
10-(4-anilinophenyl)decan-2-ol
CID 101298266
4-(4-phenylphenyl)butan-1-ol
CID 11970468
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
10-(4-anilinophenyl)decan-5-ol
CID 101298269
1-(4-anilinophenyl)octadecan-8-ol
CID 101298383
17-(4-anilinophenyl)heptadecan-5-ol
CID 101298360
1-(4-anilinophenyl)pentadecan-8-ol
CID 101298332
1-(4-anilinophenyl)tridecan-5-ol
CID 101298306
4-[4-(methylamino)phenyl]butan-1-ol
CID 69404104
ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
CID 91580530

Frequently Asked Questions

What is the IUPAC name of 12-(4-anilinophenyl)dodecan-1-ol?
The IUPAC name of 12-(4-anilinophenyl)dodecan-1-ol (CID 101298286) is 12-(4-anilinophenyl)dodecan-1-ol.
What is the SMILES notation for 12-(4-anilinophenyl)dodecan-1-ol?
The canonical SMILES for 12-(4-anilinophenyl)dodecan-1-ol is OCCCCCCCCCCCCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 12-(4-anilinophenyl)dodecan-1-ol?
The InChIKey is DMRYAJIUIAHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c26-21-13-8-6-4-2-1-3-5-7-10-14-22-17-19-24(20-18-22)25-23-15-11-9-12-16-23/h9,11-12,15-20,25-26H,1-8,10,13-14,21H2.
What are the key properties of 12-(4-anilinophenyl)dodecan-1-ol?
12-(4-anilinophenyl)dodecan-1-ol has a molecular weight of 353.55 g/mol, XLogP of 6.87, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-anilinophenyl)dodecan-1-ol is sourced from PubChem (CID 101298286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).