1-(5-amino-2-hydroxyphenyl)octadecan-1-one

C24H41NO2 — CID 23616441

IUPAC1-(5-amino-2-hydroxyphenyl)octadecan-1-one
SMILESCCCCCCCCCCCCCCCCCC(=O)c1cc(N)ccc1O
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)22-20-21(25)18-19-24(22)27/h18-20,27H,2-17,25H2,1H3
InChIKeyJKLQYSQXCHMBBW-UHFFFAOYSA-N
MW375.60 g/mol
LogP7.42
Rot. Bonds17

About 1-(5-amino-2-hydroxyphenyl)octadecan-1-one

1-(5-amino-2-hydroxyphenyl)octadecan-1-one (PubChem CID 23616441) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is 1-(5-amino-2-hydroxyphenyl)octadecan-1-one.

Molecular Properties

Compound Name1-(5-amino-2-hydroxyphenyl)octadecan-1-one
PubChem CID23616441
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name1-(5-amino-2-hydroxyphenyl)octadecan-1-one
SMILESCCCCCCCCCCCCCCCCCC(=O)c1cc(N)ccc1O
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)22-20-21(25)18-19-24(22)27/h18-20,27H,2-17,25H2,1H3
InChIKeyJKLQYSQXCHMBBW-UHFFFAOYSA-N
XLogP7.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-hydroxyphenyl)octadecan-1-one?
The IUPAC name of 1-(5-amino-2-hydroxyphenyl)octadecan-1-one (CID 23616441) is 1-(5-amino-2-hydroxyphenyl)octadecan-1-one.
What is the SMILES notation for 1-(5-amino-2-hydroxyphenyl)octadecan-1-one?
The canonical SMILES for 1-(5-amino-2-hydroxyphenyl)octadecan-1-one is CCCCCCCCCCCCCCCCCC(=O)c1cc(N)ccc1O.
What is the InChIKey of 1-(5-amino-2-hydroxyphenyl)octadecan-1-one?
The InChIKey is JKLQYSQXCHMBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)22-20-21(25)18-19-24(22)27/h18-20,27H,2-17,25H2,1H3.
What are the key properties of 1-(5-amino-2-hydroxyphenyl)octadecan-1-one?
1-(5-amino-2-hydroxyphenyl)octadecan-1-one has a molecular weight of 375.60 g/mol, XLogP of 7.42, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-hydroxyphenyl)octadecan-1-one is sourced from PubChem (CID 23616441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).