[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

C16H25O4P — CID 22183630

IUPAC[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCCCCP(=O)(CCC)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H25O4P/c1-5-7-12-21(18,11-6-2)16(17)15-13(19-3)9-8-10-14(15)20-4/h8-10H,5-7,11-12H2,1-4H3
InChIKeyYSGQMZKEXRIAGS-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.42
Rot. Bonds9

About [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 22183630) has the molecular formula C16H25O4P and a molecular weight of 312.35 g/mol. Its IUPAC name is [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
PubChem CID22183630
Molecular FormulaC16H25O4P
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCCCCP(=O)(CCC)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H25O4P/c1-5-7-12-21(18,11-6-2)16(17)15-13(19-3)9-8-10-14(15)20-4/h8-10H,5-7,11-12H2,1-4H3
InChIKeyYSGQMZKEXRIAGS-UHFFFAOYSA-N
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone
CID 175778969
2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
CID 91739119
[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183286
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
1-dibutylphosphoryl-2-methoxybenzene
CID 15651948
2-bis(2,6-dimethoxybenzoyl)phosphorylacetic acid
CID 66769792
bis(2,6-dimethoxybenzoyl)phosphinothioyl-(2,6-dimethoxyphenyl)methanone
CID 54513060
(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
CID 18514206
[butyl(pentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183541
[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 18783616
[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22717592
2-[benzyl(butyl)phosphoryl]-1-(2,6-dimethoxyphenyl)pentan-1-one
CID 175697093

Frequently Asked Questions

What is the IUPAC name of [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (CID 22183630) is [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is CCCCP(=O)(CCC)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is YSGQMZKEXRIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O4P/c1-5-7-12-21(18,11-6-2)16(17)15-13(19-3)9-8-10-14(15)20-4/h8-10H,5-7,11-12H2,1-4H3.
What are the key properties of [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 312.35 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 22183630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).