[(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone

C24H31O7P — CID 86171400

IUPAC[(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone
SMILESCCOc1cccc(OC)c1C(=O)P(=O)(CC(C)C)C(=O)c1c(OC)cccc1OCC
InChIInChI=1S/C24H31O7P/c1-7-30-19-13-9-11-17(28-5)21(19)23(25)32(27,15-16(3)4)24(26)22-18(29-6)12-10-14-20(22)31-8-2/h9-14,16H,7-8,15H2,1-6H3
InChIKeyQUIJZXMYNHAKSR-UHFFFAOYSA-N
MW462.48 g/mol
LogP5.50
Rot. Bonds12

About [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone

[(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone (PubChem CID 86171400) has the molecular formula C24H31O7P and a molecular weight of 462.48 g/mol. Its IUPAC name is [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone
PubChem CID86171400
Molecular FormulaC24H31O7P
Molecular Weight462.48 g/mol
Exact Mass462.18
IUPAC Name[(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone
SMILESCCOc1cccc(OC)c1C(=O)P(=O)(CC(C)C)C(=O)c1c(OC)cccc1OCC
InChIInChI=1S/C24H31O7P/c1-7-30-19-13-9-11-17(28-5)21(19)23(25)32(27,15-16(3)4)24(26)22-18(29-6)12-10-14-20(22)31-8-2/h9-14,16H,7-8,15H2,1-6H3
InChIKeyQUIJZXMYNHAKSR-UHFFFAOYSA-N
XLogP5.50
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 26967458
[2,6-bis(trifluoromethyl)phenyl]-[2-methylpropyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 22183706
[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 18783616
2-bis(2,6-dimethoxybenzoyl)phosphorylacetic acid
CID 66769792
(2,6-diethoxyphenyl)-[phenyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 70012736
[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
CID 164973475
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438
[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone
CID 141389570
2-[7-bis(2,6-dimethoxybenzoyl)phosphorylheptyl]-1,3-bis(2,6-dimethoxyphenyl)propane-1,3-dione
CID 172732172
(E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one
CID 24828195
tert-butyl 2-bis(2,6-dimethoxybenzoyl)phosphorylacetate
CID 59218818
[butan-2-yl-(2,6-diethoxybenzoyl)-(2-methoxybenzoyl)-(2-methylpropyl)-λ5-phosphanyl]-(2-methoxyphenyl)methanone
CID 160736143

Frequently Asked Questions

What is the IUPAC name of [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone?
The IUPAC name of [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone (CID 86171400) is [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone.
What is the SMILES notation for [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone?
The canonical SMILES for [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone is CCOc1cccc(OC)c1C(=O)P(=O)(CC(C)C)C(=O)c1c(OC)cccc1OCC.
What is the InChIKey of [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone?
The InChIKey is QUIJZXMYNHAKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31O7P/c1-7-30-19-13-9-11-17(28-5)21(19)23(25)32(27,15-16(3)4)24(26)22-18(29-6)12-10-14-20(22)31-8-2/h9-14,16H,7-8,15H2,1-6H3.
What are the key properties of [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone?
[(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone has a molecular weight of 462.48 g/mol, XLogP of 5.50, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone is sourced from PubChem (CID 86171400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).