2H-chromen-7-yl hypochlorite

C9H7ClO2 — CID 151530160

IUPAC2H-chromen-7-yl hypochlorite
SMILESClOc1ccc2c(c1)OCC=C2
InChIInChI=1S/C9H7ClO2/c10-12-8-4-3-7-2-1-5-11-9(7)6-8/h1-4,6H,5H2
InChIKeyPWHLTNZMWYBPTD-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.62
Rot. Bonds1

About 2H-chromen-7-yl hypochlorite

2H-chromen-7-yl hypochlorite (PubChem CID 151530160) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 2H-chromen-7-yl hypochlorite.

Molecular Properties

Compound Name2H-chromen-7-yl hypochlorite
PubChem CID151530160
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name2H-chromen-7-yl hypochlorite
SMILESClOc1ccc2c(c1)OCC=C2
InChIInChI=1S/C9H7ClO2/c10-12-8-4-3-7-2-1-5-11-9(7)6-8/h1-4,6H,5H2
InChIKeyPWHLTNZMWYBPTD-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-chromen-7-yl hypochlorite?
The IUPAC name of 2H-chromen-7-yl hypochlorite (CID 151530160) is 2H-chromen-7-yl hypochlorite.
What is the SMILES notation for 2H-chromen-7-yl hypochlorite?
The canonical SMILES for 2H-chromen-7-yl hypochlorite is ClOc1ccc2c(c1)OCC=C2.
What is the InChIKey of 2H-chromen-7-yl hypochlorite?
The InChIKey is PWHLTNZMWYBPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c10-12-8-4-3-7-2-1-5-11-9(7)6-8/h1-4,6H,5H2.
What are the key properties of 2H-chromen-7-yl hypochlorite?
2H-chromen-7-yl hypochlorite has a molecular weight of 182.61 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-7-yl hypochlorite is sourced from PubChem (CID 151530160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).