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

C20H23O4P — CID 66682263

IUPAC(2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCCOc1c(P=O)ccc(C(=O)c2c(C)cc(C)cc2C)c1OCC
InChIInChI=1S/C20H23O4P/c1-6-23-19-15(8-9-16(25-22)20(19)24-7-2)18(21)17-13(4)10-12(3)11-14(17)5/h8-11H,6-7H2,1-5H3
InChIKeyUQSZRTOLARWNNX-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.56
Rot. Bonds7

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

(2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 66682263) has the molecular formula C20H23O4P and a molecular weight of 358.37 g/mol. Its IUPAC name is (2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID66682263
Molecular FormulaC20H23O4P
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name(2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCCOc1c(P=O)ccc(C(=O)c2c(C)cc(C)cc2C)c1OCC
InChIInChI=1S/C20H23O4P/c1-6-23-19-15(8-9-16(25-22)20(19)24-7-2)18(21)17-13(4)10-12(3)11-14(17)5/h8-11H,6-7H2,1-5H3
InChIKeyUQSZRTOLARWNNX-UHFFFAOYSA-N
XLogP4.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.56
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

(2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
CID 174779309
2-ethoxy-4,6-dimethylbenzoic acid
CID 22956565
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
(2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone
CID 82266269
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate
CID 69347540
(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43338856
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 43339486
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
4-(2-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CID 82053193

Frequently Asked Questions

What is the IUPAC name of (2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone (CID 66682263) is (2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone is CCOc1c(P=O)ccc(C(=O)c2c(C)cc(C)cc2C)c1OCC.
What is the InChIKey of (2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is UQSZRTOLARWNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O4P/c1-6-23-19-15(8-9-16(25-22)20(19)24-7-2)18(21)17-13(4)10-12(3)11-14(17)5/h8-11H,6-7H2,1-5H3.
What are the key properties of (2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone?
(2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 358.37 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 66682263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).