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

C17H18O4 — CID 61033108

IUPAC1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2ccccc2C(C)=O)c(OC)c1OC
InChIInChI=1S/C17H18O4/c1-11(18)12-7-5-6-8-13(12)14-9-10-15(19-2)17(21-4)16(14)20-3/h5-10H,1-4H3
InChIKeyNQYZRJIZFWHXNZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.58
Rot. Bonds5

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

1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone (PubChem CID 61033108) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone
PubChem CID61033108
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2ccccc2C(C)=O)c(OC)c1OC
InChIInChI=1S/C17H18O4/c1-11(18)12-7-5-6-8-13(12)14-9-10-15(19-2)17(21-4)16(14)20-3/h5-10H,1-4H3
InChIKeyNQYZRJIZFWHXNZ-UHFFFAOYSA-N
XLogP3.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3,4-trimethoxyphenyl)phenyl]prop-2-en-1-one
CID 118550411
N-(2-acetylphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089670
2-amino-7-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 72714989
(6-acetyl-2,3-dimethoxyphenyl) benzoate
CID 118066026
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene
CID 87951546
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10782790
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
CID 135057699
2-(2-acetylphenyl)-5-methoxybenzaldehyde
CID 42645450
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone (CID 61033108) is 1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone is COc1ccc(-c2ccccc2C(C)=O)c(OC)c1OC.
What is the InChIKey of 1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone?
The InChIKey is NQYZRJIZFWHXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11(18)12-7-5-6-8-13(12)14-9-10-15(19-2)17(21-4)16(14)20-3/h5-10H,1-4H3.
What are the key properties of 1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone?
1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.58, 5 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-trimethoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 61033108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).