[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

C24H29O8P — CID 22183526

IUPAC[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)P(=O)(C(=O)c2c(OC)cccc2OC)C2CCCC2)c(OC)c1
InChIInChI=1S/C24H29O8P/c1-28-15-13-19(31-4)22(20(14-15)32-5)24(26)33(27,16-9-6-7-10-16)23(25)21-17(29-2)11-8-12-18(21)30-3/h8,11-14,16H,6-7,9-10H2,1-5H3
InChIKeyLBNGIRRQOZMLJL-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.02
Rot. Bonds10

About [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 22183526) has the molecular formula C24H29O8P and a molecular weight of 476.46 g/mol. Its IUPAC name is [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
PubChem CID22183526
Molecular FormulaC24H29O8P
Molecular Weight476.46 g/mol
Exact Mass476.16
IUPAC Name[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)P(=O)(C(=O)c2c(OC)cccc2OC)C2CCCC2)c(OC)c1
InChIInChI=1S/C24H29O8P/c1-28-15-13-19(31-4)22(20(14-15)32-5)24(26)33(27,16-9-6-7-10-16)23(25)21-17(29-2)11-8-12-18(21)30-3/h8,11-14,16H,6-7,9-10H2,1-5H3
InChIKeyLBNGIRRQOZMLJL-UHFFFAOYSA-N
XLogP5.02
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183265
[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183998
[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183286
bis(2,6-dimethoxybenzoyl)phosphinothioyl-(2,6-dimethoxyphenyl)methanone
CID 54513060
(2,6-diethoxyphenyl)-[phenyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 70012736
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone
CID 22183560
N-cyclopentyloxy-2,6-dimethoxybenzamide
CID 83216402
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
CID 12892172
(E)-3-(2,6-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 16754161
[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
CID 18514103

Frequently Asked Questions

What is the IUPAC name of [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (CID 22183526) is [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)P(=O)(C(=O)c2c(OC)cccc2OC)C2CCCC2)c(OC)c1.
What is the InChIKey of [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is LBNGIRRQOZMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29O8P/c1-28-15-13-19(31-4)22(20(14-15)32-5)24(26)33(27,16-9-6-7-10-16)23(25)21-17(29-2)11-8-12-18(21)30-3/h8,11-14,16H,6-7,9-10H2,1-5H3.
What are the key properties of [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 476.46 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 22183526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).