(2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone

C18H19O4P — CID 174779309

IUPAC(2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCOc1ccc(P=O)c(OC)c1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H19O4P/c1-10-8-11(2)15(12(3)9-10)17(19)16-13(21-4)6-7-14(23-20)18(16)22-5/h6-9H,1-5H3
InChIKeyMJWUFSRXGOAEFF-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.78
Rot. Bonds5

About (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone

(2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 174779309) has the molecular formula C18H19O4P and a molecular weight of 330.32 g/mol. Its IUPAC name is (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID174779309
Molecular FormulaC18H19O4P
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name(2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCOc1ccc(P=O)c(OC)c1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H19O4P/c1-10-8-11(2)15(12(3)9-10)17(19)16-13(21-4)6-7-14(23-20)18(16)22-5/h6-9H,1-5H3
InChIKeyMJWUFSRXGOAEFF-UHFFFAOYSA-N
XLogP3.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.78
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

(2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
CID 66682263
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone
CID 132559325
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
(2,6-dimethoxyphenyl)-(2,3,4,6-tetramethylphenyl)methanone
CID 172752328
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone (CID 174779309) is (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone is COc1ccc(P=O)c(OC)c1C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is MJWUFSRXGOAEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O4P/c1-10-8-11(2)15(12(3)9-10)17(19)16-13(21-4)6-7-14(23-20)18(16)22-5/h6-9H,1-5H3.
What are the key properties of (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone?
(2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 330.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 174779309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).