1,8-dimethoxy-10-nitrosoanthracen-9-ol

C16H13NO4 — CID 46855009

IUPAC1,8-dimethoxy-10-nitrosoanthracen-9-ol
SMILESCOc1cccc2c(N=O)c3cccc(OC)c3c(O)c12
InChIInChI=1S/C16H13NO4/c1-20-11-7-3-5-9-13(11)16(18)14-10(15(9)17-19)6-4-8-12(14)21-2/h3-8,18H,1-2H3
InChIKeyBOPQZODQILKHHV-UHFFFAOYSA-N
MW283.28 g/mol
LogP4.11
Rot. Bonds3

About 1,8-dimethoxy-10-nitrosoanthracen-9-ol

1,8-dimethoxy-10-nitrosoanthracen-9-ol (PubChem CID 46855009) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1,8-dimethoxy-10-nitrosoanthracen-9-ol.

Molecular Properties

Compound Name1,8-dimethoxy-10-nitrosoanthracen-9-ol
PubChem CID46855009
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name1,8-dimethoxy-10-nitrosoanthracen-9-ol
SMILESCOc1cccc2c(N=O)c3cccc(OC)c3c(O)c12
InChIInChI=1S/C16H13NO4/c1-20-11-7-3-5-9-13(11)16(18)14-10(15(9)17-19)6-4-8-12(14)21-2/h3-8,18H,1-2H3
InChIKeyBOPQZODQILKHHV-UHFFFAOYSA-N
XLogP4.11
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethoxy-10-nitrosoanthracen-9-ol?
The IUPAC name of 1,8-dimethoxy-10-nitrosoanthracen-9-ol (CID 46855009) is 1,8-dimethoxy-10-nitrosoanthracen-9-ol.
What is the SMILES notation for 1,8-dimethoxy-10-nitrosoanthracen-9-ol?
The canonical SMILES for 1,8-dimethoxy-10-nitrosoanthracen-9-ol is COc1cccc2c(N=O)c3cccc(OC)c3c(O)c12.
What is the InChIKey of 1,8-dimethoxy-10-nitrosoanthracen-9-ol?
The InChIKey is BOPQZODQILKHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-11-7-3-5-9-13(11)16(18)14-10(15(9)17-19)6-4-8-12(14)21-2/h3-8,18H,1-2H3.
What are the key properties of 1,8-dimethoxy-10-nitrosoanthracen-9-ol?
1,8-dimethoxy-10-nitrosoanthracen-9-ol has a molecular weight of 283.28 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxy-10-nitrosoanthracen-9-ol is sourced from PubChem (CID 46855009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).