1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone

C18H18F2O2 — CID 144675666

IUPAC1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone
SMILESCc1cc(F)ccc1C(=O)Cc1ccc(OC(C)(C)F)cc1
InChIInChI=1S/C18H18F2O2/c1-12-10-14(19)6-9-16(12)17(21)11-13-4-7-15(8-5-13)22-18(2,3)20/h4-10H,11H2,1-3H3
InChIKeyALJWAHYKOZZTGI-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.64
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone

1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone (PubChem CID 144675666) has the molecular formula C18H18F2O2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone
PubChem CID144675666
Molecular FormulaC18H18F2O2
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone
SMILESCc1cc(F)ccc1C(=O)Cc1ccc(OC(C)(C)F)cc1
InChIInChI=1S/C18H18F2O2/c1-12-10-14(19)6-9-16(12)17(21)11-13-4-7-15(8-5-13)22-18(2,3)20/h4-10H,11H2,1-3H3
InChIKeyALJWAHYKOZZTGI-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
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CID 66660404
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091
1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105095672
1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
CID 83171971
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 79954422
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871423
4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793
1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
CID 65477472
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273317

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone (CID 144675666) is 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone is Cc1cc(F)ccc1C(=O)Cc1ccc(OC(C)(C)F)cc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone?
The InChIKey is ALJWAHYKOZZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O2/c1-12-10-14(19)6-9-16(12)17(21)11-13-4-7-15(8-5-13)22-18(2,3)20/h4-10H,11H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone?
1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone has a molecular weight of 304.34 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone is sourced from PubChem (CID 144675666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).