spiro[3H-1,3-benzoxazole-2,2'-chromene]

C15H11NO2 — CID 19083866

IUPACspiro[3H-1,3-benzoxazole-2,2'-chromene]
SMILESC1=CC2(Nc3ccccc3O2)Oc2ccccc21
InChIInChI=1S/C15H11NO2/c1-3-7-13-11(5-1)9-10-15(17-13)16-12-6-2-4-8-14(12)18-15/h1-10,16H
InChIKeyQLPKIMGLTYJIBO-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.25
Rot. Bonds

About spiro[3H-1,3-benzoxazole-2,2'-chromene]

spiro[3H-1,3-benzoxazole-2,2'-chromene] (PubChem CID 19083866) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is spiro[3H-1,3-benzoxazole-2,2'-chromene].

Molecular Properties

Compound Namespiro[3H-1,3-benzoxazole-2,2'-chromene]
PubChem CID19083866
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Namespiro[3H-1,3-benzoxazole-2,2'-chromene]
SMILESC1=CC2(Nc3ccccc3O2)Oc2ccccc21
InChIInChI=1S/C15H11NO2/c1-3-7-13-11(5-1)9-10-15(17-13)16-12-6-2-4-8-14(12)18-15/h1-10,16H
InChIKeyQLPKIMGLTYJIBO-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-1,3-benzoxazole-2,2'-chromene]?
The IUPAC name of spiro[3H-1,3-benzoxazole-2,2'-chromene] (CID 19083866) is spiro[3H-1,3-benzoxazole-2,2'-chromene].
What is the SMILES notation for spiro[3H-1,3-benzoxazole-2,2'-chromene]?
The canonical SMILES for spiro[3H-1,3-benzoxazole-2,2'-chromene] is C1=CC2(Nc3ccccc3O2)Oc2ccccc21.
What is the InChIKey of spiro[3H-1,3-benzoxazole-2,2'-chromene]?
The InChIKey is QLPKIMGLTYJIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-3-7-13-11(5-1)9-10-15(17-13)16-12-6-2-4-8-14(12)18-15/h1-10,16H.
What are the key properties of spiro[3H-1,3-benzoxazole-2,2'-chromene]?
spiro[3H-1,3-benzoxazole-2,2'-chromene] has a molecular weight of 237.26 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1,3-benzoxazole-2,2'-chromene] is sourced from PubChem (CID 19083866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).