1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone

C19H22O4 — CID 135057699

IUPAC1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
SMILESCOc1cc(CCc2ccccc2C(C)=O)cc(OC)c1OC
InChIInChI=1S/C19H22O4/c1-13(20)16-8-6-5-7-15(16)10-9-14-11-17(21-2)19(23-4)18(12-14)22-3/h5-8,11-12H,9-10H2,1-4H3
InChIKeyBAXALCFSTHMPGO-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.70
Rot. Bonds7

About 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone

1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone (PubChem CID 135057699) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
PubChem CID135057699
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
SMILESCOc1cc(CCc2ccccc2C(C)=O)cc(OC)c1OC
InChIInChI=1S/C19H22O4/c1-13(20)16-8-6-5-7-15(16)10-9-14-11-17(21-2)19(23-4)18(12-14)22-3/h5-8,11-12H,9-10H2,1-4H3
InChIKeyBAXALCFSTHMPGO-UHFFFAOYSA-N
XLogP3.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
CID 102035798
4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
CID 175712395
2,2-dimethyl-5-[[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 101474657

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone (CID 135057699) is 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone is COc1cc(CCc2ccccc2C(C)=O)cc(OC)c1OC.
What is the InChIKey of 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone?
The InChIKey is BAXALCFSTHMPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-13(20)16-8-6-5-7-15(16)10-9-14-11-17(21-2)19(23-4)18(12-14)22-3/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone?
1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone has a molecular weight of 314.38 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone is sourced from PubChem (CID 135057699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).