6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol

C16H10BrNO4 — CID 171446650

IUPAC6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(Oc2c(Br)ccc3cc(O)ccc23)cc1
InChIInChI=1S/C16H10BrNO4/c17-15-8-1-10-9-12(19)4-7-14(10)16(15)22-13-5-2-11(3-6-13)18(20)21/h1-9,19H
InChIKeyAMDHOQMPFUHGHC-UHFFFAOYSA-N
MW360.16 g/mol
LogP5.01
Rot. Bonds3

About 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol

6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol (PubChem CID 171446650) has the molecular formula C16H10BrNO4 and a molecular weight of 360.16 g/mol. Its IUPAC name is 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol
PubChem CID171446650
Molecular FormulaC16H10BrNO4
Molecular Weight360.16 g/mol
Exact Mass358.98
IUPAC Name6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(Oc2c(Br)ccc3cc(O)ccc23)cc1
InChIInChI=1S/C16H10BrNO4/c17-15-8-1-10-9-12(19)4-7-14(10)16(15)22-13-5-2-11(3-6-13)18(20)21/h1-9,19H
InChIKeyAMDHOQMPFUHGHC-UHFFFAOYSA-N
XLogP5.01
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.16
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-4-(4-nitrophenoxy)phenol
CID 18448751
naphthalen-2-ol;nitrobenzene
CID 163774452
naphthalen-2-ol;4-nitroaniline
CID 160761253
2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol
CID 166787691
(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
CID 139719116
4-nitrophenol
CID 88714583
1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone
CID 24763777
4-[4-(4-nitrophenoxy)phenyl]sulfinylphenol
CID 139719117
1,6-bis(4-nitrophenoxy)naphthalene
CID 54368809
4-nitrophenol;phosphane
CID 157153413
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
calcium;hydride;4-nitrophenol
CID 173414286

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol?
The IUPAC name of 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol (CID 171446650) is 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol.
What is the SMILES notation for 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol?
The canonical SMILES for 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol is O=[N+]([O-])c1ccc(Oc2c(Br)ccc3cc(O)ccc23)cc1.
What is the InChIKey of 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol?
The InChIKey is AMDHOQMPFUHGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO4/c17-15-8-1-10-9-12(19)4-7-14(10)16(15)22-13-5-2-11(3-6-13)18(20)21/h1-9,19H.
What are the key properties of 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol?
6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol has a molecular weight of 360.16 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol is sourced from PubChem (CID 171446650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).