[(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone

C18H18F3O3P — CID 154304054

IUPAC[(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone
SMILESCCOc1ccc(P(C(=O)c2ccccc2)C(F)(F)F)c(OCC)c1
InChIInChI=1S/C18H18F3O3P/c1-3-23-14-10-11-16(15(12-14)24-4-2)25(18(19,20)21)17(22)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyYGRILRJDYWECSQ-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.95
Rot. Bonds7

About [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone

[(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone (PubChem CID 154304054) has the molecular formula C18H18F3O3P and a molecular weight of 370.31 g/mol. Its IUPAC name is [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone.

Molecular Properties

Compound Name[(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone
PubChem CID154304054
Molecular FormulaC18H18F3O3P
Molecular Weight370.31 g/mol
Exact Mass370.09
IUPAC Name[(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone
SMILESCCOc1ccc(P(C(=O)c2ccccc2)C(F)(F)F)c(OCC)c1
InChIInChI=1S/C18H18F3O3P/c1-3-23-14-10-11-16(15(12-14)24-4-2)25(18(19,20)21)17(22)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyYGRILRJDYWECSQ-UHFFFAOYSA-N
XLogP4.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.95
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-(2,4-diethoxyphenyl)-2,2,2-trifluoroethanone
CID 83952962
bromobenzene;3-ethoxybenzoic acid
CID 174626248
2,4-diethoxybenzamide
CID 17145726
2,4-diethoxybenzoate
CID 6951194
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170999024
3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane
CID 19858272
lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide
CID 141016144
benzamide;1,4-diethoxybenzene
CID 162120306
3-[(2,4-diethoxyphenyl)methylideneamino]benzoic acid
CID 23991610
[(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone
CID 70013713
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
2,4-diethoxy-1-phenylbenzene
CID 132889855

Frequently Asked Questions

What is the IUPAC name of [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone?
The IUPAC name of [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone (CID 154304054) is [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone.
What is the SMILES notation for [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone?
The canonical SMILES for [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone is CCOc1ccc(P(C(=O)c2ccccc2)C(F)(F)F)c(OCC)c1.
What is the InChIKey of [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone?
The InChIKey is YGRILRJDYWECSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3O3P/c1-3-23-14-10-11-16(15(12-14)24-4-2)25(18(19,20)21)17(22)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3.
What are the key properties of [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone?
[(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone has a molecular weight of 370.31 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone is sourced from PubChem (CID 154304054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).