1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone

C18H19FO2 — CID 63533848

IUPAC1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)c(F)c1
InChIInChI=1S/C18H19FO2/c1-11(2)14-6-5-12(3)18(10-14)21-17-8-7-15(13(4)20)9-16(17)19/h5-11H,1-4H3
InChIKeyLJCQYZZPZFJWEH-UHFFFAOYSA-N
MW286.35 g/mol
LogP5.25
Rot. Bonds4

About 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone

1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone (PubChem CID 63533848) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
PubChem CID63533848
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)c(F)c1
InChIInChI=1S/C18H19FO2/c1-11(2)14-6-5-12(3)18(10-14)21-17-8-7-15(13(4)20)9-16(17)19/h5-11H,1-4H3
InChIKeyLJCQYZZPZFJWEH-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.35
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 63534112
[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol
CID 63540052
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
CID 155458337
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721
1-[4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]ethanone
CID 28602673
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
CID 115298221
(2-methyl-5-propan-2-ylphenyl) 4-chlorobenzoate
CID 836524
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 104529321

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone (CID 63533848) is 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone?
The InChIKey is LJCQYZZPZFJWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-11(2)14-6-5-12(3)18(10-14)21-17-8-7-15(13(4)20)9-16(17)19/h5-11H,1-4H3.
What are the key properties of 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone?
1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone has a molecular weight of 286.35 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone is sourced from PubChem (CID 63533848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).