1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone

C15H13FO3 — CID 60623791

IUPAC1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FO3/c16-13-5-3-12(4-6-13)15(18)10-19-14-7-1-11(9-17)2-8-14/h1-8,17H,9-10H2
InChIKeyPOASHCFUCWKBAE-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone

1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone (PubChem CID 60623791) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
PubChem CID60623791
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FO3/c16-13-5-3-12(4-6-13)15(18)10-19-14-7-1-11(9-17)2-8-14/h1-8,17H,9-10H2
InChIKeyPOASHCFUCWKBAE-UHFFFAOYSA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163
5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
CID 158311508
1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one
CID 107709274
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709231
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709229
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9472118
2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
CID 67899293

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone (CID 60623791) is 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone is O=C(COc1ccc(CO)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone?
The InChIKey is POASHCFUCWKBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c16-13-5-3-12(4-6-13)15(18)10-19-14-7-1-11(9-17)2-8-14/h1-8,17H,9-10H2.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone?
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone has a molecular weight of 260.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone is sourced from PubChem (CID 60623791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).