1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone

C22H19FO3 — CID 91871423

IUPAC1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O)cc1
InChIInChI=1S/C22H19FO3/c1-15-2-4-16(5-3-15)12-21(24)20-11-10-19(13-22(20)25)26-14-17-6-8-18(23)9-7-17/h2-11,13,25H,12,14H2,1H3
InChIKeyRFFHGCYLXXYBFL-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.84
Rot. Bonds6

About 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone

1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone (PubChem CID 91871423) has the molecular formula C22H19FO3 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
PubChem CID91871423
Molecular FormulaC22H19FO3
Molecular Weight350.39 g/mol
Exact Mass350.13
IUPAC Name1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O)cc1
InChIInChI=1S/C22H19FO3/c1-15-2-4-16(5-3-15)12-21(24)20-11-10-19(13-22(20)25)26-14-17-6-8-18(23)9-7-17/h2-11,13,25H,12,14H2,1H3
InChIKeyRFFHGCYLXXYBFL-UHFFFAOYSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871409
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone
CID 59237860
1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 75481107
(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 7290825
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500
2-fluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol
CID 158646614
2-hydroxy-4-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methoxy]benzoic acid
CID 19106206
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
CID 117220532
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone (CID 91871423) is 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone?
The InChIKey is RFFHGCYLXXYBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO3/c1-15-2-4-16(5-3-15)12-21(24)20-11-10-19(13-22(20)25)26-14-17-6-8-18(23)9-7-17/h2-11,13,25H,12,14H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone?
1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone has a molecular weight of 350.39 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 91871423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).