1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one

C18H20O4 — CID 69180019

IUPAC1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)c(C(C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H20O4/c1-12(18(19)13-8-6-5-7-9-13)14-10-16(21-3)17(22-4)11-15(14)20-2/h5-12H,1-4H3
InChIKeyWRRYNNVKCHVIMR-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.70
Rot. Bonds6

About 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one

1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 69180019) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one
PubChem CID69180019
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)c(C(C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H20O4/c1-12(18(19)13-8-6-5-7-9-13)14-10-16(21-3)17(22-4)11-15(14)20-2/h5-12H,1-4H3
InChIKeyWRRYNNVKCHVIMR-UHFFFAOYSA-N
XLogP3.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone
CID 102130083
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)ethyl]benzamide
CID 832433
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
2-[2-methoxy-4-[(2S,3R,4R,5S)-5-[3-methoxy-4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]-3,4-dimethyloxolan-2-yl]phenoxy]-1-phenylpropan-1-one
CID 122216901
[(1R,2R)-1-[(2S)-2-methoxy-2-phenylacetyl]oxy-1-(2,4,5-trimethoxyphenyl)propan-2-yl] (2S)-2-methoxy-2-phenylacetate
CID 11295622
[(1R,2S)-1-[(2S)-2-methoxy-2-phenylacetyl]oxy-1-(2,4,5-trimethoxyphenyl)propan-2-yl] (2S)-2-methoxy-2-phenylacetate
CID 11191919

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one (CID 69180019) is 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one is COc1cc(OC)c(C(C)C(=O)c2ccccc2)cc1OC.
What is the InChIKey of 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is WRRYNNVKCHVIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-12(18(19)13-8-6-5-7-9-13)14-10-16(21-3)17(22-4)11-15(14)20-2/h5-12H,1-4H3.
What are the key properties of 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one?
1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 300.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 69180019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).