[2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone

C24H27O7P — CID 66688043

IUPAC[2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1CCCCC1(P=O)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C24H27O7P/c1-28-16-10-7-11-17(29-2)20(16)22(25)15-9-5-6-14-24(15,32-27)23(26)21-18(30-3)12-8-13-19(21)31-4/h7-8,10-13,15H,5-6,9,14H2,1-4H3
InChIKeyDYXPYZBPKPPYJI-UHFFFAOYSA-N
MW458.45 g/mol
LogP5.01
Rot. Bonds9

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

[2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 66688043) has the molecular formula C24H27O7P and a molecular weight of 458.45 g/mol. Its IUPAC name is [2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone
PubChem CID66688043
Molecular FormulaC24H27O7P
Molecular Weight458.45 g/mol
Exact Mass458.15
IUPAC Name[2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1CCCCC1(P=O)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C24H27O7P/c1-28-16-10-7-11-17(29-2)20(16)22(25)15-9-5-6-14-24(15,32-27)23(26)21-18(30-3)12-8-13-19(21)31-4/h7-8,10-13,15H,5-6,9,14H2,1-4H3
InChIKeyDYXPYZBPKPPYJI-UHFFFAOYSA-N
XLogP5.01
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone (CID 66688043) is [2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)C1CCCCC1(P=O)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of [2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is DYXPYZBPKPPYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O7P/c1-28-16-10-7-11-17(29-2)20(16)22(25)15-9-5-6-14-24(15,32-27)23(26)21-18(30-3)12-8-13-19(21)31-4/h7-8,10-13,15H,5-6,9,14H2,1-4H3.
What are the key properties of [2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone?
[2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 458.45 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethoxybenzoyl)-2-phosphorosocyclohexyl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 66688043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).