2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone

C21H18O3 — CID 118160863

IUPAC2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone
SMILESO=C(c1ccccc1COc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H18O3/c22-20(16-9-3-1-4-10-16)21(23)19-14-8-7-11-17(19)15-24-18-12-5-2-6-13-18/h1-14,20,22H,15H2
InChIKeyMEJIDVWGVJIDFC-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.18
Rot. Bonds6

About 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone

2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone (PubChem CID 118160863) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone
PubChem CID118160863
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone
SMILESO=C(c1ccccc1COc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H18O3/c22-20(16-9-3-1-4-10-16)21(23)19-14-8-7-11-17(19)15-24-18-12-5-2-6-13-18/h1-14,20,22H,15H2
InChIKeyMEJIDVWGVJIDFC-UHFFFAOYSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxy-2-phenylacetyl)phenyl]acetic acid
CID 69479306
2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone
CID 123684387
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate
CID 18199295
2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone
CID 159551981
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
4-[1-[2-(phenoxymethyl)phenyl]ethenyl]benzoic acid
CID 22400872
(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone (CID 118160863) is 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone is O=C(c1ccccc1COc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone?
The InChIKey is MEJIDVWGVJIDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c22-20(16-9-3-1-4-10-16)21(23)19-14-8-7-11-17(19)15-24-18-12-5-2-6-13-18/h1-14,20,22H,15H2.
What are the key properties of 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone?
2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone has a molecular weight of 318.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone is sourced from PubChem (CID 118160863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).