(2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone

C17H19O3P — CID 18514772

IUPAC(2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone
SMILESCCOc1cccc(OCC)c1C(=O)c1ccccc1P
InChIInChI=1S/C17H19O3P/c1-3-19-13-9-7-10-14(20-4-2)16(13)17(18)12-8-5-6-11-15(12)21/h5-11H,3-4,21H2,1-2H3
InChIKeySXPXFKHCTXPNKK-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.22
Rot. Bonds6

About (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone

(2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone (PubChem CID 18514772) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone.

Molecular Properties

Compound Name(2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone
PubChem CID18514772
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone
SMILESCCOc1cccc(OCC)c1C(=O)c1ccccc1P
InChIInChI=1S/C17H19O3P/c1-3-19-13-9-7-10-14(20-4-2)16(13)17(18)12-8-5-6-11-15(12)21/h5-11H,3-4,21H2,1-2H3
InChIKeySXPXFKHCTXPNKK-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone?
The IUPAC name of (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone (CID 18514772) is (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone.
What is the SMILES notation for (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone?
The canonical SMILES for (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone is CCOc1cccc(OCC)c1C(=O)c1ccccc1P.
What is the InChIKey of (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone?
The InChIKey is SXPXFKHCTXPNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c1-3-19-13-9-7-10-14(20-4-2)16(13)17(18)12-8-5-6-11-15(12)21/h5-11H,3-4,21H2,1-2H3.
What are the key properties of (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone?
(2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone has a molecular weight of 302.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone is sourced from PubChem (CID 18514772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).