CID 101406960

C8H10NO4 — CID 101406960

IUPAC—
SMILESCOc1cc([N]O)cc(OC)c1O
InChIInChI=1S/C8H10NO4/c1-12-6-3-5(9-11)4-7(13-2)8(6)10/h3-4,10-11H,1-2H3
InChIKeyQSXNVFXCNSNSOC-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.03
Rot. Bonds3

About CID 101406960

CID 101406960 (PubChem CID 101406960) has the molecular formula C8H10NO4 and a molecular weight of 184.17 g/mol.

Molecular Properties

Compound NameCID 101406960
PubChem CID101406960
Molecular FormulaC8H10NO4
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name—
SMILESCOc1cc([N]O)cc(OC)c1O
InChIInChI=1S/C8H10NO4/c1-12-6-3-5(9-11)4-7(13-2)8(6)10/h3-4,10-11H,1-2H3
InChIKeyQSXNVFXCNSNSOC-UHFFFAOYSA-N
XLogP1.03
TPSA73.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101406960?
The IUPAC name of CID 101406960 (CID 101406960) is not available.
What is the SMILES notation for CID 101406960?
The canonical SMILES for CID 101406960 is COc1cc([N]O)cc(OC)c1O.
What is the InChIKey of CID 101406960?
The InChIKey is QSXNVFXCNSNSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO4/c1-12-6-3-5(9-11)4-7(13-2)8(6)10/h3-4,10-11H,1-2H3.
What are the key properties of CID 101406960?
CID 101406960 has a molecular weight of 184.17 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101406960 is sourced from PubChem (CID 101406960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).