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

C30H47NO — CID 101298383

IUPAC1-(4-anilinophenyl)octadecan-8-ol
SMILESCCCCCCCCCCC(O)CCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C30H47NO/c1-2-3-4-5-6-7-10-16-21-30(32)22-17-11-8-9-13-18-27-23-25-29(26-24-27)31-28-19-14-12-15-20-28/h12,14-15,19-20,23-26,30-32H,2-11,13,16-18,21-22H2,1H3
InChIKeySAKCMZSFHGDKQZ-UHFFFAOYSA-N
MW437.71 g/mol
LogP9.20
Rot. Bonds19

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

1-(4-anilinophenyl)octadecan-8-ol (PubChem CID 101298383) has the molecular formula C30H47NO and a molecular weight of 437.71 g/mol. Its IUPAC name is 1-(4-anilinophenyl)octadecan-8-ol.

Molecular Properties

Compound Name1-(4-anilinophenyl)octadecan-8-ol
PubChem CID101298383
Molecular FormulaC30H47NO
Molecular Weight437.71 g/mol
Exact Mass437.37
IUPAC Name1-(4-anilinophenyl)octadecan-8-ol
SMILESCCCCCCCCCCC(O)CCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C30H47NO/c1-2-3-4-5-6-7-10-16-21-30(32)22-17-11-8-9-13-18-27-23-25-29(26-24-27)31-28-19-14-12-15-20-28/h12,14-15,19-20,23-26,30-32H,2-11,13,16-18,21-22H2,1H3
InChIKeySAKCMZSFHGDKQZ-UHFFFAOYSA-N
XLogP9.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.71
LogP ≤ 59.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-anilinophenyl)octadecan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-anilinophenyl)pentadecan-8-ol
CID 101298332
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)octadecan-8-ol?
The IUPAC name of 1-(4-anilinophenyl)octadecan-8-ol (CID 101298383) is 1-(4-anilinophenyl)octadecan-8-ol.
What is the SMILES notation for 1-(4-anilinophenyl)octadecan-8-ol?
The canonical SMILES for 1-(4-anilinophenyl)octadecan-8-ol is CCCCCCCCCCC(O)CCCCCCCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenyl)octadecan-8-ol?
The InChIKey is SAKCMZSFHGDKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47NO/c1-2-3-4-5-6-7-10-16-21-30(32)22-17-11-8-9-13-18-27-23-25-29(26-24-27)31-28-19-14-12-15-20-28/h12,14-15,19-20,23-26,30-32H,2-11,13,16-18,21-22H2,1H3.
What are the key properties of 1-(4-anilinophenyl)octadecan-8-ol?
1-(4-anilinophenyl)octadecan-8-ol has a molecular weight of 437.71 g/mol, XLogP of 9.20, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)octadecan-8-ol is sourced from PubChem (CID 101298383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).