1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one

C17H18O3 — CID 107709236

IUPAC1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one
SMILESO=C(COc1ccc(CCO)cc1)Cc1ccccc1
InChIInChI=1S/C17H18O3/c18-11-10-14-6-8-17(9-7-14)20-13-16(19)12-15-4-2-1-3-5-15/h1-9,18H,10-13H2
InChIKeyLZDOEFKWVJTIGY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.41
Rot. Bonds7

About 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one

1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one (PubChem CID 107709236) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one
PubChem CID107709236
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one
SMILESO=C(COc1ccc(CCO)cc1)Cc1ccccc1
InChIInChI=1S/C17H18O3/c18-11-10-14-6-8-17(9-7-14)20-13-16(19)12-15-4-2-1-3-5-15/h1-9,18H,10-13H2
InChIKeyLZDOEFKWVJTIGY-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-(4-nitrophenoxy)-3-phenylpropan-2-one
CID 61031518
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
CID 62716544
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
2-[4-(2-hydroxyethyl)phenoxy]-1-(2-methoxyphenyl)ethanone
CID 107709230
3-[2-oxo-3-(4-phenylmethoxyphenoxy)propyl]benzoic acid
CID 58156785
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
1,3-diphenyl(213C)propan-2-one
CID 100945080

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one (CID 107709236) is 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one is O=C(COc1ccc(CCO)cc1)Cc1ccccc1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one?
The InChIKey is LZDOEFKWVJTIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-11-10-14-6-8-17(9-7-14)20-13-16(19)12-15-4-2-1-3-5-15/h1-9,18H,10-13H2.
What are the key properties of 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one?
1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one is sourced from PubChem (CID 107709236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).