6-chloro-2-ethoxy-3-nitro-2H-chromene

C11H10ClNO4 — CID 12777115

IUPAC6-chloro-2-ethoxy-3-nitro-2H-chromene
SMILESCCOC1Oc2ccc(Cl)cc2C=C1[N+](=O)[O-]
InChIInChI=1S/C11H10ClNO4/c1-2-16-11-9(13(14)15)6-7-5-8(12)3-4-10(7)17-11/h3-6,11H,2H2,1H3
InChIKeyUFMWVHDIRLYKPO-UHFFFAOYSA-N
MW255.66 g/mol
LogP2.71
Rot. Bonds3

About 6-chloro-2-ethoxy-3-nitro-2H-chromene

6-chloro-2-ethoxy-3-nitro-2H-chromene (PubChem CID 12777115) has the molecular formula C11H10ClNO4 and a molecular weight of 255.66 g/mol. Its IUPAC name is 6-chloro-2-ethoxy-3-nitro-2H-chromene.

Molecular Properties

Compound Name6-chloro-2-ethoxy-3-nitro-2H-chromene
PubChem CID12777115
Molecular FormulaC11H10ClNO4
Molecular Weight255.66 g/mol
Exact Mass255.03
IUPAC Name6-chloro-2-ethoxy-3-nitro-2H-chromene
SMILESCCOC1Oc2ccc(Cl)cc2C=C1[N+](=O)[O-]
InChIInChI=1S/C11H10ClNO4/c1-2-16-11-9(13(14)15)6-7-5-8(12)3-4-10(7)17-11/h3-6,11H,2H2,1H3
InChIKeyUFMWVHDIRLYKPO-UHFFFAOYSA-N
XLogP2.71
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 52.71
H-Bond Donors ≤ 50
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'}

Analyze 6-chloro-2-ethoxy-3-nitro-2H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethoxy-3-nitro-2H-chromene?
The IUPAC name of 6-chloro-2-ethoxy-3-nitro-2H-chromene (CID 12777115) is 6-chloro-2-ethoxy-3-nitro-2H-chromene.
What is the SMILES notation for 6-chloro-2-ethoxy-3-nitro-2H-chromene?
The canonical SMILES for 6-chloro-2-ethoxy-3-nitro-2H-chromene is CCOC1Oc2ccc(Cl)cc2C=C1[N+](=O)[O-].
What is the InChIKey of 6-chloro-2-ethoxy-3-nitro-2H-chromene?
The InChIKey is UFMWVHDIRLYKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4/c1-2-16-11-9(13(14)15)6-7-5-8(12)3-4-10(7)17-11/h3-6,11H,2H2,1H3.
What are the key properties of 6-chloro-2-ethoxy-3-nitro-2H-chromene?
6-chloro-2-ethoxy-3-nitro-2H-chromene has a molecular weight of 255.66 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethoxy-3-nitro-2H-chromene is sourced from PubChem (CID 12777115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).