(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium

C20H24O4P+ — CID 66688109

IUPAC(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)CCCCCc1ccccc1
InChIInChI=1S/C20H24O4P/c1-23-17-13-9-14-18(24-2)19(17)20(21)25(22)15-8-4-7-12-16-10-5-3-6-11-16/h3,5-6,9-11,13-14H,4,7-8,12,15H2,1-2H3/q+1
InChIKeyUDJAVHCUMTUWIA-UHFFFAOYSA-N
MW359.38 g/mol
LogP5.08
Rot. Bonds10

About (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium

(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium (PubChem CID 66688109) has the molecular formula C20H24O4P+ and a molecular weight of 359.38 g/mol. Its IUPAC name is (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium.

Molecular Properties

Compound Name(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium
PubChem CID66688109
Molecular FormulaC20H24O4P+
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)CCCCCc1ccccc1
InChIInChI=1S/C20H24O4P/c1-23-17-13-9-14-18(24-2)19(17)20(21)25(22)15-8-4-7-12-16-10-5-3-6-11-16/h3,5-6,9-11,13-14H,4,7-8,12,15H2,1-2H3/q+1
InChIKeyUDJAVHCUMTUWIA-UHFFFAOYSA-N
XLogP5.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.08
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 (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium 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-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium
CID 70016693
butyl-(2,6-dimethoxybenzoyl)-oxophosphanium;1,2-diphenylethane-1,2-dione
CID 175473426
(2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium
CID 70016775
2-methoxy-6-(5-phenylpentyl)benzoic acid
CID 46735473
(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
CID 141294397
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
CID 102035798
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
methyl 2-methoxy-6-[(E)-6-phenylhex-1-enyl]benzoate
CID 46735447
1-(2-methoxy-6-sulfanylphenyl)-3-phenylpropan-1-one
CID 67135833
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-methoxy-2,3-bis(3-phenylpropyl)benzene
CID 57054570

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium?
The IUPAC name of (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium (CID 66688109) is (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium.
What is the SMILES notation for (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium?
The canonical SMILES for (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium is COc1cccc(OC)c1C(=O)[P+](=O)CCCCCc1ccccc1.
What is the InChIKey of (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium?
The InChIKey is UDJAVHCUMTUWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4P/c1-23-17-13-9-14-18(24-2)19(17)20(21)25(22)15-8-4-7-12-16-10-5-3-6-11-16/h3,5-6,9-11,13-14H,4,7-8,12,15H2,1-2H3/q+1.
What are the key properties of (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium?
(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium has a molecular weight of 359.38 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium is sourced from PubChem (CID 66688109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).