biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one

C21H14O5P+ — CID 174785738

IUPACbiphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one
SMILESO=[P+](O)Oc1cccc2c1-c1ccccc1-2.O=c1ccc2ccccc2o1
InChIInChI=1S/C12H7O3P.C9H6O2/c13-16(14)15-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11;10-9-6-5-7-3-1-2-4-8(7)11-9/h1-7H;1-6H/p+1
InChIKeyMPDZVSKHEMSBKA-UHFFFAOYSA-O
MW377.31 g/mol
LogP5.16
Rot. Bonds2

About biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one

biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one (PubChem CID 174785738) has the molecular formula C21H14O5P+ and a molecular weight of 377.31 g/mol. Its IUPAC name is biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one.

Molecular Properties

Compound Namebiphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one
PubChem CID174785738
Molecular FormulaC21H14O5P+
Molecular Weight377.31 g/mol
Exact Mass377.06
IUPAC Namebiphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one
SMILESO=[P+](O)Oc1cccc2c1-c1ccccc1-2.O=c1ccc2ccccc2o1
InChIInChI=1S/C12H7O3P.C9H6O2/c13-16(14)15-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11;10-9-6-5-7-3-1-2-4-8(7)11-9/h1-7H;1-6H/p+1
InChIKeyMPDZVSKHEMSBKA-UHFFFAOYSA-O
XLogP5.16
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.31
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one?
The IUPAC name of biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one (CID 174785738) is biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one.
What is the SMILES notation for biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one?
The canonical SMILES for biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one is O=[P+](O)Oc1cccc2c1-c1ccccc1-2.O=c1ccc2ccccc2o1.
What is the InChIKey of biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one?
The InChIKey is MPDZVSKHEMSBKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H7O3P.C9H6O2/c13-16(14)15-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11;10-9-6-5-7-3-1-2-4-8(7)11-9/h1-7H;1-6H/p+1.
What are the key properties of biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one?
biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one has a molecular weight of 377.31 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylen-1-yloxy-hydroxy-oxophosphanium;chromen-2-one is sourced from PubChem (CID 174785738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).