bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate

C33H30O9 — CID 66645438

IUPACbis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate
SMILESCOc1cc(OC)cc(C(=O)C(OC(=O)OC(C(=O)c2cc(OC)cc(OC)c2)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H30O9/c1-37-25-15-23(16-26(19-25)38-2)29(34)31(21-11-7-5-8-12-21)41-33(36)42-32(22-13-9-6-10-14-22)30(35)24-17-27(39-3)20-28(18-24)40-4/h5-20,31-32H,1-4H3
InChIKeyXWMOEWHEZZEFNC-UHFFFAOYSA-N
MW570.59 g/mol
LogP6.42
Rot. Bonds12

About bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate

bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate (PubChem CID 66645438) has the molecular formula C33H30O9 and a molecular weight of 570.59 g/mol. Its IUPAC name is bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate.

Molecular Properties

Compound Namebis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate
PubChem CID66645438
Molecular FormulaC33H30O9
Molecular Weight570.59 g/mol
Exact Mass570.19
IUPAC Namebis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate
SMILESCOc1cc(OC)cc(C(=O)C(OC(=O)OC(C(=O)c2cc(OC)cc(OC)c2)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H30O9/c1-37-25-15-23(16-26(19-25)38-2)29(34)31(21-11-7-5-8-12-21)41-33(36)42-32(22-13-9-6-10-14-22)30(35)24-17-27(39-3)20-28(18-24)40-4/h5-20,31-32H,1-4H3
InChIKeyXWMOEWHEZZEFNC-UHFFFAOYSA-N
XLogP6.42
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.59
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
[1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate
CID 170020181
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate
CID 7079593
1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone
CID 70030141
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] carbonate
CID 10479029
[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethoxybenzoate
CID 2083766
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethoxybenzoate
CID 2083767

Frequently Asked Questions

What is the IUPAC name of bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate?
The IUPAC name of bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate (CID 66645438) is bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate.
What is the SMILES notation for bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate?
The canonical SMILES for bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate is COc1cc(OC)cc(C(=O)C(OC(=O)OC(C(=O)c2cc(OC)cc(OC)c2)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate?
The InChIKey is XWMOEWHEZZEFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O9/c1-37-25-15-23(16-26(19-25)38-2)29(34)31(21-11-7-5-8-12-21)41-33(36)42-32(22-13-9-6-10-14-22)30(35)24-17-27(39-3)20-28(18-24)40-4/h5-20,31-32H,1-4H3.
What are the key properties of bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate?
bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate has a molecular weight of 570.59 g/mol, XLogP of 6.42, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate is sourced from PubChem (CID 66645438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).