[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone

C21H27O5P — CID 18514103

IUPAC[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
SMILESCCCCCP(=O)(C(=O)c1c(OC)cc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C21H27O5P/c1-5-6-10-13-27(23,17-11-8-7-9-12-17)21(22)20-18(25-3)14-16(24-2)15-19(20)26-4/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3
InChIKeyOQZVETPQDKZPRS-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.73
Rot. Bonds10

About [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone

[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 18514103) has the molecular formula C21H27O5P and a molecular weight of 390.42 g/mol. Its IUPAC name is [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
PubChem CID18514103
Molecular FormulaC21H27O5P
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
SMILESCCCCCP(=O)(C(=O)c1c(OC)cc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C21H27O5P/c1-5-6-10-13-27(23,17-11-8-7-9-12-17)21(22)20-18(25-3)14-16(24-2)15-19(20)26-4/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3
InChIKeyOQZVETPQDKZPRS-UHFFFAOYSA-N
XLogP4.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylphenyl)-[dodecyl(phenyl)phosphoryl]methanone
CID 18514413
(2,6-diethoxyphenyl)-[phenyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 70012736
(4-tert-butyl-2,6-dimethylphenyl)-[heptyl(phenyl)phosphoryl]methanone
CID 18514166
(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
CID 18514206
[2,6-bis(trifluoromethyl)phenyl]-[hexyl(phenyl)phosphoryl]methanone
CID 18514315
[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone
CID 58825409
[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone
CID 175778969
pentyl 2-[(2-chloro-6-methoxybenzoyl)-phenylphosphoryl]acetate
CID 172720574
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
2,4-dimethoxy-6-pentylbenzoic acid
CID 12658769
[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183630
[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22717592

Frequently Asked Questions

What is the IUPAC name of [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone (CID 18514103) is [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone is CCCCCP(=O)(C(=O)c1c(OC)cc(OC)cc1OC)c1ccccc1.
What is the InChIKey of [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is OQZVETPQDKZPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O5P/c1-5-6-10-13-27(23,17-11-8-7-9-12-17)21(22)20-18(25-3)14-16(24-2)15-19(20)26-4/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3.
What are the key properties of [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone?
[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 390.42 g/mol, XLogP of 4.73, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 18514103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).