[2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone

C18H23N2O4P — CID 14791047

IUPAC[2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2OP(=O)(N(C)C)N(C)C)cc1
InChIInChI=1S/C18H23N2O4P/c1-19(2)25(22,20(3)4)24-17-9-7-6-8-16(17)18(21)14-10-12-15(23-5)13-11-14/h6-13H,1-5H3
InChIKeyFEYRHMPJJLGXLS-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.54
Rot. Bonds7

About [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone

[2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone (PubChem CID 14791047) has the molecular formula C18H23N2O4P and a molecular weight of 362.37 g/mol. Its IUPAC name is [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone
PubChem CID14791047
Molecular FormulaC18H23N2O4P
Molecular Weight362.37 g/mol
Exact Mass362.14
IUPAC Name[2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2OP(=O)(N(C)C)N(C)C)cc1
InChIInChI=1S/C18H23N2O4P/c1-19(2)25(22,20(3)4)24-17-9-7-6-8-16(17)18(21)14-10-12-15(23-5)13-11-14/h6-13H,1-5H3
InChIKeyFEYRHMPJJLGXLS-UHFFFAOYSA-N
XLogP3.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate
CID 18547359
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55555108
1H-indol-7-yl-(4-methoxyphenyl)methanone
CID 141393759
[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968498
1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962

Frequently Asked Questions

What is the IUPAC name of [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone (CID 14791047) is [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccccc2OP(=O)(N(C)C)N(C)C)cc1.
What is the InChIKey of [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone?
The InChIKey is FEYRHMPJJLGXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O4P/c1-19(2)25(22,20(3)4)24-17-9-7-6-8-16(17)18(21)14-10-12-15(23-5)13-11-14/h6-13H,1-5H3.
What are the key properties of [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone?
[2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone has a molecular weight of 362.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 14791047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).