2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone

C24H24O5 — CID 71357609

IUPAC2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
SMILESCOc1ccc(C(C(=O)c2ccccc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H24O5/c1-26-19-12-10-17(14-21(19)28-3)23(24(25)16-8-6-5-7-9-16)18-11-13-20(27-2)22(15-18)29-4/h5-15,23H,1-4H3
InChIKeyOZJGSKXLJMKYHK-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.74
Rot. Bonds8

About 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone

2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone (PubChem CID 71357609) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone.

Molecular Properties

Compound Name2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
PubChem CID71357609
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
SMILESCOc1ccc(C(C(=O)c2ccccc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H24O5/c1-26-19-12-10-17(14-21(19)28-3)23(24(25)16-8-6-5-7-9-16)18-11-13-20(27-2)22(15-18)29-4/h5-15,23H,1-4H3
InChIKeyOZJGSKXLJMKYHK-UHFFFAOYSA-N
XLogP4.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 174884025
1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone
CID 102130083
2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone
CID 101342771
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
2-hydroxy-2-(4-methoxy-3-methylphenyl)-1-phenylethanone
CID 129094734
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one
CID 69180019
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide
CID 1325933
(2S,3S)-2,3-dibromo-3-(3-bromo-4-methoxyphenyl)-1-phenylpropan-1-one
CID 7036004
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
3-(3,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62398262

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone?
The IUPAC name of 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone (CID 71357609) is 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone.
What is the SMILES notation for 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone?
The canonical SMILES for 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone is COc1ccc(C(C(=O)c2ccccc2)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone?
The InChIKey is OZJGSKXLJMKYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-26-19-12-10-17(14-21(19)28-3)23(24(25)16-8-6-5-7-9-16)18-11-13-20(27-2)22(15-18)29-4/h5-15,23H,1-4H3.
What are the key properties of 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone?
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone has a molecular weight of 392.45 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone is sourced from PubChem (CID 71357609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).