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

C17H18O4 — CID 14284964

IUPAC2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H18O4/c1-19-15-10-9-13(16(20-2)17(15)21-3)14(18)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeySNOTUZUFRYOXKK-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.14
Rot. Bonds6

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

2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone (PubChem CID 14284964) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
PubChem CID14284964
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H18O4/c1-19-15-10-9-13(16(20-2)17(15)21-3)14(18)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeySNOTUZUFRYOXKK-UHFFFAOYSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid
CID 61327591
1-(3-benzyl-2,4-dimethoxyphenyl)ethanone
CID 14523506
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105412160
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-one
CID 43588937
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone?
The IUPAC name of 2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone (CID 14284964) is 2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccccc2)c(OC)c1OC.
What is the InChIKey of 2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone?
The InChIKey is SNOTUZUFRYOXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-15-10-9-13(16(20-2)17(15)21-3)14(18)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of 2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone?
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone is sourced from PubChem (CID 14284964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).