1-(4-anilinophenyl)pentadecan-8-ol

C27H41NO — CID 101298332

IUPAC1-(4-anilinophenyl)pentadecan-8-ol
SMILESCCCCCCCC(O)CCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H41NO/c1-2-3-4-6-13-18-27(29)19-14-8-5-7-10-15-24-20-22-26(23-21-24)28-25-16-11-9-12-17-25/h9,11-12,16-17,20-23,27-29H,2-8,10,13-15,18-19H2,1H3
InChIKeyMPJSNZKTQMPWFL-UHFFFAOYSA-N
MW395.63 g/mol
LogP8.03
Rot. Bonds16

About 1-(4-anilinophenyl)pentadecan-8-ol

1-(4-anilinophenyl)pentadecan-8-ol (PubChem CID 101298332) has the molecular formula C27H41NO and a molecular weight of 395.63 g/mol. Its IUPAC name is 1-(4-anilinophenyl)pentadecan-8-ol.

Molecular Properties

Compound Name1-(4-anilinophenyl)pentadecan-8-ol
PubChem CID101298332
Molecular FormulaC27H41NO
Molecular Weight395.63 g/mol
Exact Mass395.32
IUPAC Name1-(4-anilinophenyl)pentadecan-8-ol
SMILESCCCCCCCC(O)CCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H41NO/c1-2-3-4-6-13-18-27(29)19-14-8-5-7-10-15-24-20-22-26(23-21-24)28-25-16-11-9-12-17-25/h9,11-12,16-17,20-23,27-29H,2-8,10,13-15,18-19H2,1H3
InChIKeyMPJSNZKTQMPWFL-UHFFFAOYSA-N
XLogP8.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 58.03
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)tridecan-5-ol
CID 101298306
10-(4-anilinophenyl)decan-5-ol
CID 101298269
1-(4-anilinophenyl)undecan-4-ol
CID 101298282
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-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)pentadecan-8-ol?
The IUPAC name of 1-(4-anilinophenyl)pentadecan-8-ol (CID 101298332) is 1-(4-anilinophenyl)pentadecan-8-ol.
What is the SMILES notation for 1-(4-anilinophenyl)pentadecan-8-ol?
The canonical SMILES for 1-(4-anilinophenyl)pentadecan-8-ol is CCCCCCCC(O)CCCCCCCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenyl)pentadecan-8-ol?
The InChIKey is MPJSNZKTQMPWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41NO/c1-2-3-4-6-13-18-27(29)19-14-8-5-7-10-15-24-20-22-26(23-21-24)28-25-16-11-9-12-17-25/h9,11-12,16-17,20-23,27-29H,2-8,10,13-15,18-19H2,1H3.
What are the key properties of 1-(4-anilinophenyl)pentadecan-8-ol?
1-(4-anilinophenyl)pentadecan-8-ol has a molecular weight of 395.63 g/mol, XLogP of 8.03, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)pentadecan-8-ol is sourced from PubChem (CID 101298332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).