2-(octadecylamino)-6-phenylphenol

C30H47NO — CID 138395030

IUPAC2-(octadecylamino)-6-phenylphenol
SMILESCCCCCCCCCCCCCCCCCCNc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C30H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-31-29-25-21-24-28(30(29)32)27-22-18-17-19-23-27/h17-19,21-25,31-32H,2-16,20,26H2,1H3
InChIKeyWOEAVOAMUNNGRA-UHFFFAOYSA-N
MW437.71 g/mol
LogP9.73
Rot. Bonds19

About 2-(octadecylamino)-6-phenylphenol

2-(octadecylamino)-6-phenylphenol (PubChem CID 138395030) has the molecular formula C30H47NO and a molecular weight of 437.71 g/mol. Its IUPAC name is 2-(octadecylamino)-6-phenylphenol.

Molecular Properties

Compound Name2-(octadecylamino)-6-phenylphenol
PubChem CID138395030
Molecular FormulaC30H47NO
Molecular Weight437.71 g/mol
Exact Mass437.37
IUPAC Name2-(octadecylamino)-6-phenylphenol
SMILESCCCCCCCCCCCCCCCCCCNc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C30H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-31-29-25-21-24-28(30(29)32)27-22-18-17-19-23-27/h17-19,21-25,31-32H,2-16,20,26H2,1H3
InChIKeyWOEAVOAMUNNGRA-UHFFFAOYSA-N
XLogP9.73
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 ≤ 59.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecylamino)phenol
CID 154256819
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2,3-bis(octylamino)phenol
CID 67224440
N-octadecyl-9H-fluoren-4-amine
CID 150393762
5-(dodecylamino)naphthalen-1-ol
CID 11438841
2-hydroxy-3-(pentylamino)benzaldehyde
CID 88730085
1,4-dihydroxy-2-(octylamino)anthracene-9,10-dione
CID 12678915
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
2-(tetradecylamino)benzoic acid
CID 15090293
5-bromo-N-pentyl-2-phenylaniline
CID 156564317
2-hydroxy-3-(pentylamino)benzamide
CID 67175041

Frequently Asked Questions

What is the IUPAC name of 2-(octadecylamino)-6-phenylphenol?
The IUPAC name of 2-(octadecylamino)-6-phenylphenol (CID 138395030) is 2-(octadecylamino)-6-phenylphenol.
What is the SMILES notation for 2-(octadecylamino)-6-phenylphenol?
The canonical SMILES for 2-(octadecylamino)-6-phenylphenol is CCCCCCCCCCCCCCCCCCNc1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-(octadecylamino)-6-phenylphenol?
The InChIKey is WOEAVOAMUNNGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-31-29-25-21-24-28(30(29)32)27-22-18-17-19-23-27/h17-19,21-25,31-32H,2-16,20,26H2,1H3.
What are the key properties of 2-(octadecylamino)-6-phenylphenol?
2-(octadecylamino)-6-phenylphenol has a molecular weight of 437.71 g/mol, XLogP of 9.73, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octadecylamino)-6-phenylphenol is sourced from PubChem (CID 138395030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).