(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone

C24H22ClO6P — CID 70015697

IUPAC(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
SMILESCOc1cccc(Cl)c1C(=O)P(=O)(C(=O)c1c(OC)cc(C)cc1OC)c1ccccc1
InChIInChI=1S/C24H22ClO6P/c1-15-13-19(30-3)22(20(14-15)31-4)24(27)32(28,16-9-6-5-7-10-16)23(26)21-17(25)11-8-12-18(21)29-2/h5-14H,1-4H3
InChIKeyGDYIFFXDQDWVNE-UHFFFAOYSA-N
MW472.86 g/mol
LogP5.34
Rot. Bonds8

About (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone

(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone (PubChem CID 70015697) has the molecular formula C24H22ClO6P and a molecular weight of 472.86 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
PubChem CID70015697
Molecular FormulaC24H22ClO6P
Molecular Weight472.86 g/mol
Exact Mass472.08
IUPAC Name(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
SMILESCOc1cccc(Cl)c1C(=O)P(=O)(C(=O)c1c(OC)cc(C)cc1OC)c1ccccc1
InChIInChI=1S/C24H22ClO6P/c1-15-13-19(30-3)22(20(14-15)31-4)24(27)32(28,16-9-6-5-7-10-16)23(26)21-17(25)11-8-12-18(21)29-2/h5-14H,1-4H3
InChIKeyGDYIFFXDQDWVNE-UHFFFAOYSA-N
XLogP5.34
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.86
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 70016069
(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
CID 18514206
(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone
CID 18514546
[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 159912845
(2,6-diethoxyphenyl)-[phenyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 70012736
(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone
CID 18515173
[[3-(chloromethyl)-2,6-dimethoxybenzoyl]-phenylphosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 123711505
(4-tert-butyl-2,6-dimethylphenyl)-[(3-chloro-2,6-dimethoxybenzoyl)-phenylphosphoryl]methanone
CID 70014948
pentyl 2-[(2-chloro-6-methoxybenzoyl)-phenylphosphoryl]acetate
CID 172720574
[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 19849616

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone?
The IUPAC name of (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone (CID 70015697) is (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone is COc1cccc(Cl)c1C(=O)P(=O)(C(=O)c1c(OC)cc(C)cc1OC)c1ccccc1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone?
The InChIKey is GDYIFFXDQDWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClO6P/c1-15-13-19(30-3)22(20(14-15)31-4)24(27)32(28,16-9-6-5-7-10-16)23(26)21-17(25)11-8-12-18(21)29-2/h5-14H,1-4H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone?
(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone has a molecular weight of 472.86 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone is sourced from PubChem (CID 70015697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).