ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone

C21H29FO4 — CID 144761231

IUPACethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCC.CC.COc1ccc(CC(=O)c2cc(F)c(OC)cc2OC)cc1
InChIInChI=1S/C17H17FO4.2C2H6/c1-20-12-6-4-11(5-7-12)8-15(19)13-9-14(18)17(22-3)10-16(13)21-2;2*1-2/h4-7,9-10H,8H2,1-3H3;2*1-2H3
InChIKeyMRZMFKWDFKDZBK-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.33
Rot. Bonds6

About ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone

ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 144761231) has the molecular formula C21H29FO4 and a molecular weight of 364.46 g/mol. Its IUPAC name is ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID144761231
Molecular FormulaC21H29FO4
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Nameethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCC.CC.COc1ccc(CC(=O)c2cc(F)c(OC)cc2OC)cc1
InChIInChI=1S/C17H17FO4.2C2H6/c1-20-12-6-4-11(5-7-12)8-15(19)13-9-14(18)17(22-3)10-16(13)21-2;2*1-2/h4-7,9-10H,8H2,1-3H3;2*1-2H3
InChIKeyMRZMFKWDFKDZBK-UHFFFAOYSA-N
XLogP5.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086081
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 58914630
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone (CID 144761231) is ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone is CC.CC.COc1ccc(CC(=O)c2cc(F)c(OC)cc2OC)cc1.
What is the InChIKey of ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is MRZMFKWDFKDZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4.2C2H6/c1-20-12-6-4-11(5-7-12)8-15(19)13-9-14(18)17(22-3)10-16(13)21-2;2*1-2/h4-7,9-10H,8H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 364.46 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 144761231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).