(3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium

C21H13Br2ClO4P+ — CID 70014800

IUPAC(3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium
SMILESCOc1cccc(Cl)c1C(=O)[P+](=O)c1c(Br)ccc(C(=O)c2ccccc2)c1Br
InChIInChI=1S/C21H13Br2ClO4P/c1-28-16-9-5-8-15(24)17(16)21(26)29(27)20-14(22)11-10-13(18(20)23)19(25)12-6-3-2-4-7-12/h2-11H,1H3/q+1
InChIKeyFPAQUWAXQPGCQQ-UHFFFAOYSA-N
MW555.57 g/mol
LogP6.40
Rot. Bonds6

About (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium

(3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium (PubChem CID 70014800) has the molecular formula C21H13Br2ClO4P+ and a molecular weight of 555.57 g/mol. Its IUPAC name is (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium.

Molecular Properties

Compound Name(3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium
PubChem CID70014800
Molecular FormulaC21H13Br2ClO4P+
Molecular Weight555.57 g/mol
Exact Mass552.86
IUPAC Name(3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium
SMILESCOc1cccc(Cl)c1C(=O)[P+](=O)c1c(Br)ccc(C(=O)c2ccccc2)c1Br
InChIInChI=1S/C21H13Br2ClO4P/c1-28-16-9-5-8-15(24)17(16)21(26)29(27)20-14(22)11-10-13(18(20)23)19(25)12-6-3-2-4-7-12/h2-11H,1H3/q+1
InChIKeyFPAQUWAXQPGCQQ-UHFFFAOYSA-N
XLogP6.40
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.57
LogP ≤ 56.40
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

(3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium
CID 70016709
(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium
CID 70017070
(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
CID 70014526
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 115813439
N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide
CID 3350285
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium
CID 70016693
[2-(3-bromo-2,5,6-trimethoxybenzoyl)phenyl]-(2,6-dichlorophenyl)methanone
CID 141016409

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium?
The IUPAC name of (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium (CID 70014800) is (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium.
What is the SMILES notation for (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium?
The canonical SMILES for (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium is COc1cccc(Cl)c1C(=O)[P+](=O)c1c(Br)ccc(C(=O)c2ccccc2)c1Br.
What is the InChIKey of (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium?
The InChIKey is FPAQUWAXQPGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Br2ClO4P/c1-28-16-9-5-8-15(24)17(16)21(26)29(27)20-14(22)11-10-13(18(20)23)19(25)12-6-3-2-4-7-12/h2-11H,1H3/q+1.
What are the key properties of (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium?
(3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium has a molecular weight of 555.57 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium is sourced from PubChem (CID 70014800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).