1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol

C21H16N2O2 — CID 135718504

IUPAC1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol
SMILESCc1cc(O)c(/N=N/c2c(O)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H16N2O2/c1-13-12-19(25)21(17-9-5-4-7-15(13)17)23-22-20-16-8-3-2-6-14(16)10-11-18(20)24/h2-12,24-25H,1H3/b23-22+
InChIKeyAMXQOPGXXQKVGJ-GHVJWSGMSA-N
MW328.37 g/mol
LogP6.13
Rot. Bonds2

About 1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol

1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol (PubChem CID 135718504) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol
PubChem CID135718504
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol
SMILESCc1cc(O)c(/N=N/c2c(O)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H16N2O2/c1-13-12-19(25)21(17-9-5-4-7-15(13)17)23-22-20-16-8-3-2-6-14(16)10-11-18(20)24/h2-12,24-25H,1H3/b23-22+
InChIKeyAMXQOPGXXQKVGJ-GHVJWSGMSA-N
XLogP6.13
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 56.13
H-Bond Donors ≤ 52
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-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol?
The IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol (CID 135718504) is 1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol.
What is the SMILES notation for 1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol?
The canonical SMILES for 1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol is Cc1cc(O)c(/N=N/c2c(O)ccc3ccccc23)c2ccccc12.
What is the InChIKey of 1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol?
The InChIKey is AMXQOPGXXQKVGJ-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-13-12-19(25)21(17-9-5-4-7-15(13)17)23-22-20-16-8-3-2-6-14(16)10-11-18(20)24/h2-12,24-25H,1H3/b23-22+.
What are the key properties of 1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol?
1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol has a molecular weight of 328.37 g/mol, XLogP of 6.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol is sourced from PubChem (CID 135718504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).