(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium

C34H25ClO6P+ — CID 70014526

IUPAC(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
SMILESCOc1cccc(Cl)c1C(=O)[P+](=O)c1ccccc1C(=O)c1ccccc1C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C34H25ClO6P/c1-39-29-21-12-20-28(35)31(29)33(37)42(38)30-22-11-10-19-27(30)32(36)25-17-8-9-18-26(25)34(40-23-13-4-2-5-14-23)41-24-15-6-3-7-16-24/h2-22,34H,1H3/q+1
InChIKeyYTTOJTQFHOXMTD-UHFFFAOYSA-N
MW596.00 g/mol
LogP8.03
Rot. Bonds11

About (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium

(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium (PubChem CID 70014526) has the molecular formula C34H25ClO6P+ and a molecular weight of 596.00 g/mol. Its IUPAC name is (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium.

Molecular Properties

Compound Name(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
PubChem CID70014526
Molecular FormulaC34H25ClO6P+
Molecular Weight596.00 g/mol
Exact Mass595.11
IUPAC Name(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
SMILESCOc1cccc(Cl)c1C(=O)[P+](=O)c1ccccc1C(=O)c1ccccc1C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C34H25ClO6P/c1-39-29-21-12-20-28(35)31(29)33(37)42(38)30-22-11-10-19-27(30)32(36)25-17-8-9-18-26(25)34(40-23-13-4-2-5-14-23)41-24-15-6-3-7-16-24/h2-22,34H,1H3/q+1
InChIKeyYTTOJTQFHOXMTD-UHFFFAOYSA-N
XLogP8.03
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.00
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173244979
(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685
[2-(2,6-dimethoxybenzoyl)phenyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 173244334
(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173245773
(3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methoxybenzoyl)-oxophosphanium
CID 70014800
oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
CID 173245628
[2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium
CID 70014987
[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium
CID 173245703
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
2-chloro-6-propan-2-yloxybenzoic acid
CID 28604889
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium?
The IUPAC name of (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium (CID 70014526) is (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium.
What is the SMILES notation for (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium?
The canonical SMILES for (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium is COc1cccc(Cl)c1C(=O)[P+](=O)c1ccccc1C(=O)c1ccccc1C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium?
The InChIKey is YTTOJTQFHOXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25ClO6P/c1-39-29-21-12-20-28(35)31(29)33(37)42(38)30-22-11-10-19-27(30)32(36)25-17-8-9-18-26(25)34(40-23-13-4-2-5-14-23)41-24-15-6-3-7-16-24/h2-22,34H,1H3/q+1.
What are the key properties of (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium?
(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium has a molecular weight of 596.00 g/mol, XLogP of 8.03, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium is sourced from PubChem (CID 70014526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).