[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone

C24H31O5P — CID 175778969

IUPAC[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone
SMILESCCCCCCCCP(=O)(C(=O)c1ccccc1)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C24H31O5P/c1-4-5-6-7-8-12-18-30(27,23(25)19-14-10-9-11-15-19)24(26)22-20(28-2)16-13-17-21(22)29-3/h9-11,13-17H,4-8,12,18H2,1-3H3
InChIKeyMFZWBIQSFYCZHI-UHFFFAOYSA-N
MW430.48 g/mol
LogP6.41
Rot. Bonds13

About [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone

[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone (PubChem CID 175778969) has the molecular formula C24H31O5P and a molecular weight of 430.48 g/mol. Its IUPAC name is [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone.

Molecular Properties

Compound Name[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone
PubChem CID175778969
Molecular FormulaC24H31O5P
Molecular Weight430.48 g/mol
Exact Mass430.19
IUPAC Name[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone
SMILESCCCCCCCCP(=O)(C(=O)c1ccccc1)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C24H31O5P/c1-4-5-6-7-8-12-18-30(27,23(25)19-14-10-9-11-15-19)24(26)22-20(28-2)16-13-17-21(22)29-3/h9-11,13-17H,4-8,12,18H2,1-3H3
InChIKeyMFZWBIQSFYCZHI-UHFFFAOYSA-N
XLogP6.41
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 18783616
2-[7-bis(2,6-dimethoxybenzoyl)phosphorylheptyl]-1,3-bis(2,6-dimethoxyphenyl)propane-1,3-dione
CID 172732172
[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183286
[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183630
2-bis(2,6-dimethoxybenzoyl)phosphorylacetic acid
CID 66769792
[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
CID 18514103
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
2-[[(2,6-dimethoxyphenyl)methyl-octylphosphoryl]methyl]-1,3-dimethoxybenzene
CID 151808322
2-decyl-6-methoxybenzoic acid
CID 20757679
[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22717592
butyl-(2,6-dimethoxybenzoyl)-oxophosphanium;1,2-diphenylethane-1,2-dione
CID 175473426
[(1R)-1-dimethoxyphosphoryldodecyl] benzoate
CID 102395340

Frequently Asked Questions

What is the IUPAC name of [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone?
The IUPAC name of [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone (CID 175778969) is [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone.
What is the SMILES notation for [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone?
The canonical SMILES for [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone is CCCCCCCCP(=O)(C(=O)c1ccccc1)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone?
The InChIKey is MFZWBIQSFYCZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31O5P/c1-4-5-6-7-8-12-18-30(27,23(25)19-14-10-9-11-15-19)24(26)22-20(28-2)16-13-17-21(22)29-3/h9-11,13-17H,4-8,12,18H2,1-3H3.
What are the key properties of [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone?
[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone has a molecular weight of 430.48 g/mol, XLogP of 6.41, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone is sourced from PubChem (CID 175778969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).