1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol

C17H14N2O2 — CID 588672

IUPAC1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol
SMILESCOc1cccc(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C17H14N2O2/c1-21-14-7-4-6-13(11-14)18-19-17-15-8-3-2-5-12(15)9-10-16(17)20/h2-11,20H,1H3/b19-18+
InChIKeyYQUBLXWXXNFKSW-VHEBQXMUSA-N
MW278.31 g/mol
LogP4.97
Rot. Bonds3

About 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol

1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol (PubChem CID 588672) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol
PubChem CID588672
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol
SMILESCOc1cccc(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C17H14N2O2/c1-21-14-7-4-6-13(11-14)18-19-17-15-8-3-2-5-12(15)9-10-16(17)20/h2-11,20H,1H3/b19-18+
InChIKeyYQUBLXWXXNFKSW-VHEBQXMUSA-N
XLogP4.97
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.97
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 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol (CID 588672) is 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol is COc1cccc(/N=N/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is YQUBLXWXXNFKSW-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-14-7-4-6-13(11-14)18-19-17-15-8-3-2-5-12(15)9-10-16(17)20/h2-11,20H,1H3/b19-18+.
What are the key properties of 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol?
1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 278.31 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 588672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).