1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one

C18H21O3P — CID 19758093

IUPAC1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one
SMILESCOP(=O)(C(=O)C(C)(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O3P/c1-18(2,14-15-10-6-4-7-11-15)17(19)22(20,21-3)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyTXBCXYADPRWJHM-UHFFFAOYSA-N
MW316.34 g/mol
LogP4.03
Rot. Bonds6

About 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one

1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one (PubChem CID 19758093) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one
PubChem CID19758093
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one
SMILESCOP(=O)(C(=O)C(C)(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O3P/c1-18(2,14-15-10-6-4-7-11-15)17(19)22(20,21-3)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyTXBCXYADPRWJHM-UHFFFAOYSA-N
XLogP4.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[methoxy(phenyl)phosphoryl]-2-phenylethanone
CID 86255472
2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol
CID 15584229
2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid
CID 15948085
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
CID 174615049
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
trimethylsilyl 2,2-dimethyl-3-phenylpropanoate
CID 102019506
methyl (2S)-2-benzyl-2-hydroxy-3-oxobutanoate
CID 101479672
(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
CID 71329533
[(2S,3S)-2-amino-3-hydroxy-3-methyl-4-phenylbutanoyl] (2S,3S)-2-amino-3-hydroxy-3-methyl-4-phenylbutanoate
CID 57192957
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one?
The IUPAC name of 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one (CID 19758093) is 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one.
What is the SMILES notation for 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one?
The canonical SMILES for 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one is COP(=O)(C(=O)C(C)(C)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one?
The InChIKey is TXBCXYADPRWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3P/c1-18(2,14-15-10-6-4-7-11-15)17(19)22(20,21-3)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3.
What are the key properties of 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one?
1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one has a molecular weight of 316.34 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one is sourced from PubChem (CID 19758093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).