17-(4-anilinophenyl)heptadecan-5-ol

C29H45NO — CID 101298360

IUPAC17-(4-anilinophenyl)heptadecan-5-ol
SMILESCCCCC(O)CCCCCCCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C29H45NO/c1-2-3-20-29(31)21-16-11-9-7-5-4-6-8-10-13-17-26-22-24-28(25-23-26)30-27-18-14-12-15-19-27/h12,14-15,18-19,22-25,29-31H,2-11,13,16-17,20-21H2,1H3
InChIKeySHCXULCEFWUUNH-UHFFFAOYSA-N
MW423.69 g/mol
LogP8.81
Rot. Bonds18

About 17-(4-anilinophenyl)heptadecan-5-ol

17-(4-anilinophenyl)heptadecan-5-ol (PubChem CID 101298360) has the molecular formula C29H45NO and a molecular weight of 423.69 g/mol. Its IUPAC name is 17-(4-anilinophenyl)heptadecan-5-ol.

Molecular Properties

Compound Name17-(4-anilinophenyl)heptadecan-5-ol
PubChem CID101298360
Molecular FormulaC29H45NO
Molecular Weight423.69 g/mol
Exact Mass423.35
IUPAC Name17-(4-anilinophenyl)heptadecan-5-ol
SMILESCCCCC(O)CCCCCCCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C29H45NO/c1-2-3-20-29(31)21-16-11-9-7-5-4-6-8-10-13-17-26-22-24-28(25-23-26)30-27-18-14-12-15-19-27/h12,14-15,18-19,22-25,29-31H,2-11,13,16-17,20-21H2,1H3
InChIKeySHCXULCEFWUUNH-UHFFFAOYSA-N
XLogP8.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.69
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-(4-anilinophenyl)heptadecan-5-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

10-(4-anilinophenyl)decan-5-ol
CID 101298269
1-(4-anilinophenyl)octadecan-8-ol
CID 101298383
1-(4-anilinophenyl)pentadecan-8-ol
CID 101298332
1-(4-anilinophenyl)tridecan-5-ol
CID 101298306
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-butylphenyl)-N-phenylaniline
CID 141426915
1-phenylheptan-3-ol
CID 10420110
12-(4-anilinophenyl)dodecan-1-ol
CID 101298286
4-(4-hexylanilino)phenol
CID 101298409

Frequently Asked Questions

What is the IUPAC name of 17-(4-anilinophenyl)heptadecan-5-ol?
The IUPAC name of 17-(4-anilinophenyl)heptadecan-5-ol (CID 101298360) is 17-(4-anilinophenyl)heptadecan-5-ol.
What is the SMILES notation for 17-(4-anilinophenyl)heptadecan-5-ol?
The canonical SMILES for 17-(4-anilinophenyl)heptadecan-5-ol is CCCCC(O)CCCCCCCCCCCCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 17-(4-anilinophenyl)heptadecan-5-ol?
The InChIKey is SHCXULCEFWUUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45NO/c1-2-3-20-29(31)21-16-11-9-7-5-4-6-8-10-13-17-26-22-24-28(25-23-26)30-27-18-14-12-15-19-27/h12,14-15,18-19,22-25,29-31H,2-11,13,16-17,20-21H2,1H3.
What are the key properties of 17-(4-anilinophenyl)heptadecan-5-ol?
17-(4-anilinophenyl)heptadecan-5-ol has a molecular weight of 423.69 g/mol, XLogP of 8.81, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4-anilinophenyl)heptadecan-5-ol is sourced from PubChem (CID 101298360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).