4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol

C17H13ClN2O — CID 4238323

IUPAC4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol
SMILESCc1c(Cl)cccc1/N=N/c1ccc(O)c2ccccc12
InChIInChI=1S/C17H13ClN2O/c1-11-14(18)7-4-8-15(11)19-20-16-9-10-17(21)13-6-3-2-5-12(13)16/h2-10,21H,1H3/b20-19+
InChIKeyNAUFCANFCGIQFV-FMQUCBEESA-N
MW296.76 g/mol
LogP5.92
Rot. Bonds2

About 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol

4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol (PubChem CID 4238323) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol
PubChem CID4238323
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol
SMILESCc1c(Cl)cccc1/N=N/c1ccc(O)c2ccccc12
InChIInChI=1S/C17H13ClN2O/c1-11-14(18)7-4-8-15(11)19-20-16-9-10-17(21)13-6-3-2-5-12(13)16/h2-10,21H,1H3/b20-19+
InChIKeyNAUFCANFCGIQFV-FMQUCBEESA-N
XLogP5.92
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.76
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol (CID 4238323) is 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol is Cc1c(Cl)cccc1/N=N/c1ccc(O)c2ccccc12.
What is the InChIKey of 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol?
The InChIKey is NAUFCANFCGIQFV-FMQUCBEESA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11-14(18)7-4-8-15(11)19-20-16-9-10-17(21)13-6-3-2-5-12(13)16/h2-10,21H,1H3/b20-19+.
What are the key properties of 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol?
4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol has a molecular weight of 296.76 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 4238323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).