1-cyclopropyl-2-diphenylphosphanylethanone

C17H17OP — CID 131980538

IUPAC1-cyclopropyl-2-diphenylphosphanylethanone
SMILESO=C(CP(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C17H17OP/c18-17(14-11-12-14)13-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyKKCGNOIUZWDEBK-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.10
Rot. Bonds5

About 1-cyclopropyl-2-diphenylphosphanylethanone

1-cyclopropyl-2-diphenylphosphanylethanone (PubChem CID 131980538) has the molecular formula C17H17OP and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-diphenylphosphanylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-diphenylphosphanylethanone
PubChem CID131980538
Molecular FormulaC17H17OP
Molecular Weight268.30 g/mol
Exact Mass268.10
IUPAC Name1-cyclopropyl-2-diphenylphosphanylethanone
SMILESO=C(CP(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C17H17OP/c18-17(14-11-12-14)13-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyKKCGNOIUZWDEBK-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-diphenylphosphanylethanone?
The IUPAC name of 1-cyclopropyl-2-diphenylphosphanylethanone (CID 131980538) is 1-cyclopropyl-2-diphenylphosphanylethanone.
What is the SMILES notation for 1-cyclopropyl-2-diphenylphosphanylethanone?
The canonical SMILES for 1-cyclopropyl-2-diphenylphosphanylethanone is O=C(CP(c1ccccc1)c1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-diphenylphosphanylethanone?
The InChIKey is KKCGNOIUZWDEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17OP/c18-17(14-11-12-14)13-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2.
What are the key properties of 1-cyclopropyl-2-diphenylphosphanylethanone?
1-cyclopropyl-2-diphenylphosphanylethanone has a molecular weight of 268.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-diphenylphosphanylethanone is sourced from PubChem (CID 131980538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).