2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol

C18H13F3N2O2 — CID 136661067

IUPAC2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol
SMILESCOc1cc(/N=N/c2ccccc2C(F)(F)F)c2ccccc2c1O
InChIInChI=1S/C18H13F3N2O2/c1-25-16-10-15(11-6-2-3-7-12(11)17(16)24)23-22-14-9-5-4-8-13(14)18(19,20)21/h2-10,24H,1H3/b23-22+
InChIKeyNIBGODQQKSEVSV-GHVJWSGMSA-N
MW346.31 g/mol
LogP5.99
Rot. Bonds3

About 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol

2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol (PubChem CID 136661067) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol
PubChem CID136661067
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol
SMILESCOc1cc(/N=N/c2ccccc2C(F)(F)F)c2ccccc2c1O
InChIInChI=1S/C18H13F3N2O2/c1-25-16-10-15(11-6-2-3-7-12(11)17(16)24)23-22-14-9-5-4-8-13(14)18(19,20)21/h2-10,24H,1H3/b23-22+
InChIKeyNIBGODQQKSEVSV-GHVJWSGMSA-N
XLogP5.99
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol?
The IUPAC name of 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol (CID 136661067) is 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol.
What is the SMILES notation for 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol?
The canonical SMILES for 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol is COc1cc(/N=N/c2ccccc2C(F)(F)F)c2ccccc2c1O.
What is the InChIKey of 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol?
The InChIKey is NIBGODQQKSEVSV-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-25-16-10-15(11-6-2-3-7-12(11)17(16)24)23-22-14-9-5-4-8-13(14)18(19,20)21/h2-10,24H,1H3/b23-22+.
What are the key properties of 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol?
2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol has a molecular weight of 346.31 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol is sourced from PubChem (CID 136661067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).