[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

C26H35O7P — CID 18783616

IUPAC[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(CCCCCC(C)C)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C26H35O7P/c1-18(2)12-8-7-9-17-34(29,25(27)23-19(30-3)13-10-14-20(23)31-4)26(28)24-21(32-5)15-11-16-22(24)33-6/h10-11,13-16,18H,7-9,12,17H2,1-6H3
InChIKeyXJUKBIGGKWBJBN-UHFFFAOYSA-N
MW490.53 g/mol
LogP6.28
Rot. Bonds14

About [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 18783616) has the molecular formula C26H35O7P and a molecular weight of 490.53 g/mol. Its IUPAC name is [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
PubChem CID18783616
Molecular FormulaC26H35O7P
Molecular Weight490.53 g/mol
Exact Mass490.21
IUPAC Name[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(CCCCCC(C)C)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C26H35O7P/c1-18(2)12-8-7-9-17-34(29,25(27)23-19(30-3)13-10-14-20(23)31-4)26(28)24-21(32-5)15-11-16-22(24)33-6/h10-11,13-16,18H,7-9,12,17H2,1-6H3
InChIKeyXJUKBIGGKWBJBN-UHFFFAOYSA-N
XLogP6.28
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone with MolForge

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Related Compounds

2-[7-bis(2,6-dimethoxybenzoyl)phosphorylheptyl]-1,3-bis(2,6-dimethoxyphenyl)propane-1,3-dione
CID 172732172
[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone
CID 175778969
[(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone
CID 86171400
2-bis(2,6-dimethoxybenzoyl)phosphorylacetic acid
CID 66769792
[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 26967458
7-methyloctyl 2-methoxy-6-propoxybenzoate
CID 118870387
[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183630
tert-butyl 2-bis(2,6-dimethoxybenzoyl)phosphorylacetate
CID 59218818
[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183286
[(1S)-1-cyanoethyl] 2,6-dimethoxybenzoate
CID 2513611
bis(2,6-dimethoxybenzoyl)phosphinothioyl-(2,6-dimethoxyphenyl)methanone
CID 54513060
1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028738

Frequently Asked Questions

What is the IUPAC name of [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (CID 18783616) is [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)P(=O)(CCCCCC(C)C)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is XJUKBIGGKWBJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35O7P/c1-18(2)12-8-7-9-17-34(29,25(27)23-19(30-3)13-10-14-20(23)31-4)26(28)24-21(32-5)15-11-16-22(24)33-6/h10-11,13-16,18H,7-9,12,17H2,1-6H3.
What are the key properties of [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 490.53 g/mol, XLogP of 6.28, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 18783616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).