[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

C21H33O4P — CID 22183286

IUPAC[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCCCCCCP(=O)(C(=O)c1c(OC)cccc1OC)C1CCCCC1
InChIInChI=1S/C21H33O4P/c1-4-5-6-10-16-26(23,17-12-8-7-9-13-17)21(22)20-18(24-2)14-11-15-19(20)25-3/h11,14-15,17H,4-10,12-13,16H2,1-3H3
InChIKeyNPYGVNRMKTUGAV-UHFFFAOYSA-N
MW380.47 g/mol
LogP6.12
Rot. Bonds10

About [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 22183286) has the molecular formula C21H33O4P and a molecular weight of 380.47 g/mol. Its IUPAC name is [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
PubChem CID22183286
Molecular FormulaC21H33O4P
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCCCCCCP(=O)(C(=O)c1c(OC)cccc1OC)C1CCCCC1
InChIInChI=1S/C21H33O4P/c1-4-5-6-10-16-26(23,17-12-8-7-9-13-17)21(22)20-18(24-2)14-11-15-19(20)25-3/h11,14-15,17H,4-10,12-13,16H2,1-3H3
InChIKeyNPYGVNRMKTUGAV-UHFFFAOYSA-N
XLogP6.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)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

[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183998
[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone
CID 175778969
[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183630
[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183526
[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183265
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
2-[[(2,6-dimethoxyphenyl)methyl-octylphosphoryl]methyl]-1,3-dimethoxybenzene
CID 151808322
[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 18783616
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22717592
[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
CID 18514103
2-[7-bis(2,6-dimethoxybenzoyl)phosphorylheptyl]-1,3-bis(2,6-dimethoxyphenyl)propane-1,3-dione
CID 172732172

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (CID 22183286) is [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is CCCCCCP(=O)(C(=O)c1c(OC)cccc1OC)C1CCCCC1.
What is the InChIKey of [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is NPYGVNRMKTUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33O4P/c1-4-5-6-10-16-26(23,17-12-8-7-9-13-17)21(22)20-18(24-2)14-11-15-19(20)25-3/h11,14-15,17H,4-10,12-13,16H2,1-3H3.
What are the key properties of [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 380.47 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 22183286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).