2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone

C16H16O3 — CID 19828168

IUPAC2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
SMILESCC(Oc1ccc(C(=O)CO)cc1)c1ccccc1
InChIInChI=1S/C16H16O3/c1-12(13-5-3-2-4-6-13)19-15-9-7-14(8-10-15)16(18)11-17/h2-10,12,17H,11H2,1H3
InChIKeyNUROEPANKLVKER-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.00
Rot. Bonds5

About 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone

2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone (PubChem CID 19828168) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
PubChem CID19828168
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
SMILESCC(Oc1ccc(C(=O)CO)cc1)c1ccccc1
InChIInChI=1S/C16H16O3/c1-12(13-5-3-2-4-6-13)19-15-9-7-14(8-10-15)16(18)11-17/h2-10,12,17H,11H2,1H3
InChIKeyNUROEPANKLVKER-UHFFFAOYSA-N
XLogP3.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
benzene;2-hydroxy-1-phenylethanone
CID 174663024
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide
CID 88651998
azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
CID 19868724
azane;2-hydroxy-1-phenylethanone
CID 161228887
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
CID 8604783
(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide
CID 70078273

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone (CID 19828168) is 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone is CC(Oc1ccc(C(=O)CO)cc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone?
The InChIKey is NUROEPANKLVKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(13-5-3-2-4-6-13)19-15-9-7-14(8-10-15)16(18)11-17/h2-10,12,17H,11H2,1H3.
What are the key properties of 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone?
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone has a molecular weight of 256.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone is sourced from PubChem (CID 19828168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).