2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone

C17H18O4 — CID 15228893

IUPAC2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C17H18O4/c1-19-15-11-17(21-3)16(20-2)10-13(15)14(18)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyHQIFXTDROYEJQR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.14
Rot. Bonds6

About 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone

2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone (PubChem CID 15228893) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
PubChem CID15228893
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C17H18O4/c1-19-15-11-17(21-3)16(20-2)10-13(15)14(18)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyHQIFXTDROYEJQR-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-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 58914630
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 144761231

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone (CID 15228893) is 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone is COc1cc(OC)c(C(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone?
The InChIKey is HQIFXTDROYEJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-15-11-17(21-3)16(20-2)10-13(15)14(18)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone?
2-phenyl-1-(2,4,5-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-(2,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 15228893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).