(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium

C27H28O5P+ — CID 173244979

IUPAC(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)c1ccccc1C(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C27H28O5P/c1-15-16(2)18(4)24(19(5)17(15)3)26(28)20-11-8-9-14-23(20)33(30)27(29)25-21(31-6)12-10-13-22(25)32-7/h8-14H,1-7H3/q+1
InChIKeyZHXHDSXBGQRIGV-UHFFFAOYSA-N
MW463.49 g/mol
LogP5.77
Rot. Bonds7

About (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium

(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium (PubChem CID 173244979) has the molecular formula C27H28O5P+ and a molecular weight of 463.49 g/mol. Its IUPAC name is (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium.

Molecular Properties

Compound Name(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
PubChem CID173244979
Molecular FormulaC27H28O5P+
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)c1ccccc1C(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C27H28O5P/c1-15-16(2)18(4)24(19(5)17(15)3)26(28)20-11-8-9-14-23(20)33(30)27(29)25-21(31-6)12-10-13-22(25)32-7/h8-14H,1-7H3/q+1
InChIKeyZHXHDSXBGQRIGV-UHFFFAOYSA-N
XLogP5.77
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685
(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173245773
[2-(2,6-dimethoxybenzoyl)phenyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 173244334
oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
CID 173245628
(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
CID 70014526
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
methyl 3-methoxy-2-methylbenzoate
CID 12527049
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium?
The IUPAC name of (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium (CID 173244979) is (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium.
What is the SMILES notation for (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium?
The canonical SMILES for (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium is COc1cccc(OC)c1C(=O)[P+](=O)c1ccccc1C(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium?
The InChIKey is ZHXHDSXBGQRIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O5P/c1-15-16(2)18(4)24(19(5)17(15)3)26(28)20-11-8-9-14-23(20)33(30)27(29)25-21(31-6)12-10-13-22(25)32-7/h8-14H,1-7H3/q+1.
What are the key properties of (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium?
(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium has a molecular weight of 463.49 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium is sourced from PubChem (CID 173244979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).