1-(4-anilinophenyl)tridecan-5-ol

C25H37NO — CID 101298306

IUPAC1-(4-anilinophenyl)tridecan-5-ol
SMILESCCCCCCCCC(O)CCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H37NO/c1-2-3-4-5-6-10-16-25(27)17-12-11-13-22-18-20-24(21-19-22)26-23-14-8-7-9-15-23/h7-9,14-15,18-21,25-27H,2-6,10-13,16-17H2,1H3
InChIKeyFQDRRQAIJTUFHT-UHFFFAOYSA-N
MW367.58 g/mol
LogP7.25
Rot. Bonds14

About 1-(4-anilinophenyl)tridecan-5-ol

1-(4-anilinophenyl)tridecan-5-ol (PubChem CID 101298306) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is 1-(4-anilinophenyl)tridecan-5-ol.

Molecular Properties

Compound Name1-(4-anilinophenyl)tridecan-5-ol
PubChem CID101298306
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC Name1-(4-anilinophenyl)tridecan-5-ol
SMILESCCCCCCCCC(O)CCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H37NO/c1-2-3-4-5-6-10-16-25(27)17-12-11-13-22-18-20-24(21-19-22)26-23-14-8-7-9-15-23/h7-9,14-15,18-21,25-27H,2-6,10-13,16-17H2,1H3
InChIKeyFQDRRQAIJTUFHT-UHFFFAOYSA-N
XLogP7.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 57.25
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
17-(4-anilinophenyl)heptadecan-5-ol
CID 101298360
10-(4-anilinophenyl)decan-5-ol
CID 101298269
1-(4-anilinophenyl)undecan-4-ol
CID 101298282
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-hexylanilino)phenol
CID 101298409
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
4-(4-decylanilino)phenol
CID 101298429
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)tridecan-5-ol?
The IUPAC name of 1-(4-anilinophenyl)tridecan-5-ol (CID 101298306) is 1-(4-anilinophenyl)tridecan-5-ol.
What is the SMILES notation for 1-(4-anilinophenyl)tridecan-5-ol?
The canonical SMILES for 1-(4-anilinophenyl)tridecan-5-ol is CCCCCCCCC(O)CCCCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenyl)tridecan-5-ol?
The InChIKey is FQDRRQAIJTUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO/c1-2-3-4-5-6-10-16-25(27)17-12-11-13-22-18-20-24(21-19-22)26-23-14-8-7-9-15-23/h7-9,14-15,18-21,25-27H,2-6,10-13,16-17H2,1H3.
What are the key properties of 1-(4-anilinophenyl)tridecan-5-ol?
1-(4-anilinophenyl)tridecan-5-ol has a molecular weight of 367.58 g/mol, XLogP of 7.25, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)tridecan-5-ol is sourced from PubChem (CID 101298306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).