2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone

C30H28O5 — CID 101342771

IUPAC2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone
SMILESCOc1ccc(C(C(=O)c2cc(OC)c(OC)cc2-c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C30H28O5/c1-32-25-16-15-22(17-26(25)33-2)29(21-13-9-6-10-14-21)30(31)24-19-28(35-4)27(34-3)18-23(24)20-11-7-5-8-12-20/h5-19,29H,1-4H3
InChIKeyMQJHAORSEDVOPN-UHFFFAOYSA-N
MW468.55 g/mol
LogP6.40
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone

2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone (PubChem CID 101342771) has the molecular formula C30H28O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone
PubChem CID101342771
Molecular FormulaC30H28O5
Molecular Weight468.55 g/mol
Exact Mass468.19
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone
SMILESCOc1ccc(C(C(=O)c2cc(OC)c(OC)cc2-c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C30H28O5/c1-32-25-16-15-22(17-26(25)33-2)29(21-13-9-6-10-14-21)30(31)24-19-28(35-4)27(34-3)18-23(24)20-11-7-5-8-12-20/h5-19,29H,1-4H3
InChIKeyMQJHAORSEDVOPN-UHFFFAOYSA-N
XLogP6.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide
CID 1325933
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 174884025
N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 20843507
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
CID 150553095
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
1-(4-methoxy-3-phenylphenyl)ethanol
CID 117328991
1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone
CID 176614232
2-(3,4-dimethoxyphenyl)-3-(2-methylphenyl)-3-oxopropanenitrile
CID 57409743

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone (CID 101342771) is 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone is COc1ccc(C(C(=O)c2cc(OC)c(OC)cc2-c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone?
The InChIKey is MQJHAORSEDVOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O5/c1-32-25-16-15-22(17-26(25)33-2)29(21-13-9-6-10-14-21)30(31)24-19-28(35-4)27(34-3)18-23(24)20-11-7-5-8-12-20/h5-19,29H,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone?
2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone has a molecular weight of 468.55 g/mol, XLogP of 6.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone is sourced from PubChem (CID 101342771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).