3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone

C12H13O2P — CID 162283979

IUPAC3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone
SMILESO=C(C1=COCCC1)c1ccc(P)cc1
InChIInChI=1S/C12H13O2P/c13-12(10-2-1-7-14-8-10)9-3-5-11(15)6-4-9/h3-6,8H,1-2,7,15H2
InChIKeyVMQVGLDMAVAJMH-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.06
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone

3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone (PubChem CID 162283979) has the molecular formula C12H13O2P and a molecular weight of 220.21 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone
PubChem CID162283979
Molecular FormulaC12H13O2P
Molecular Weight220.21 g/mol
Exact Mass220.07
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone
SMILESO=C(C1=COCCC1)c1ccc(P)cc1
InChIInChI=1S/C12H13O2P/c13-12(10-2-1-7-14-8-10)9-3-5-11(15)6-4-9/h3-6,8H,1-2,7,15H2
InChIKeyVMQVGLDMAVAJMH-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone (CID 162283979) is 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone is O=C(C1=COCCC1)c1ccc(P)cc1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone?
The InChIKey is VMQVGLDMAVAJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2P/c13-12(10-2-1-7-14-8-10)9-3-5-11(15)6-4-9/h3-6,8H,1-2,7,15H2.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone has a molecular weight of 220.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone is sourced from PubChem (CID 162283979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).