[tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone

C19H23O2P — CID 141016492

IUPAC[tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone
SMILESCC(C)(C)P(=O)(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H23O2P/c1-19(2,3)22(21,15-14-16-10-6-4-7-11-16)18(20)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyBVRGZUORVZVVRZ-UHFFFAOYSA-N
MW314.37 g/mol
LogP5.23
Rot. Bonds5

About [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone

[tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone (PubChem CID 141016492) has the molecular formula C19H23O2P and a molecular weight of 314.37 g/mol. Its IUPAC name is [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone.

Molecular Properties

Compound Name[tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone
PubChem CID141016492
Molecular FormulaC19H23O2P
Molecular Weight314.37 g/mol
Exact Mass314.14
IUPAC Name[tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone
SMILESCC(C)(C)P(=O)(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H23O2P/c1-19(2,3)22(21,15-14-16-10-6-4-7-11-16)18(20)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyBVRGZUORVZVVRZ-UHFFFAOYSA-N
XLogP5.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
(3-methoxycarbonylphenyl)methyl-(2-phenylethyl)phosphinic acid
CID 39349136
2,2-dimethylpropane;diphenylmethanone
CID 159191976
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
2-diethoxyphosphorylethylbenzene
CID 3448525
[(1S)-1-hydroxy-2-methylpropyl]-(2-phenylethyl)phosphinic acid
CID 949317
butyl(2-phenylethyl)phosphinic acid;iron
CID 159791741
benzoic acid;methanol
CID 67901482
benzoic acid;phenylmethanol
CID 175191007
2-dichlorophosphorylethylbenzene
CID 15169214
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane
CID 142271188

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone?
The IUPAC name of [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone (CID 141016492) is [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone.
What is the SMILES notation for [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone?
The canonical SMILES for [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone is CC(C)(C)P(=O)(CCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone?
The InChIKey is BVRGZUORVZVVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O2P/c1-19(2,3)22(21,15-14-16-10-6-4-7-11-16)18(20)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone?
[tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone has a molecular weight of 314.37 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone is sourced from PubChem (CID 141016492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).