[(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate

C17H16O5 — CID 57120417

IUPAC[(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate
SMILESCOC(O)(OC(C)=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H16O5/c1-12(18)22-17(20,21-2)15-11-7-6-10-14(15)16(19)13-8-4-3-5-9-13/h3-11,20H,1-2H3
InChIKeyNENARGYLOSWSSZ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.23
Rot. Bonds5

About [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate

[(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate (PubChem CID 57120417) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate.

Molecular Properties

Compound Name[(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate
PubChem CID57120417
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name[(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate
SMILESCOC(O)(OC(C)=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H16O5/c1-12(18)22-17(20,21-2)15-11-7-6-10-14(15)16(19)13-8-4-3-5-9-13/h3-11,20H,1-2H3
InChIKeyNENARGYLOSWSSZ-UHFFFAOYSA-N
XLogP2.23
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(2-hydroxypropan-2-yl)phenyl]-phenylmethanone
CID 15254692
[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
CID 24722930
2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 154168626
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
benzoic acid;tert-butyl acetate
CID 143820890
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643

Frequently Asked Questions

What is the IUPAC name of [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate?
The IUPAC name of [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate (CID 57120417) is [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate.
What is the SMILES notation for [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate?
The canonical SMILES for [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate is COC(O)(OC(C)=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate?
The InChIKey is NENARGYLOSWSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-12(18)22-17(20,21-2)15-11-7-6-10-14(15)16(19)13-8-4-3-5-9-13/h3-11,20H,1-2H3.
What are the key properties of [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate?
[(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate has a molecular weight of 300.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-benzoylphenyl)-hydroxy-methoxymethyl] acetate is sourced from PubChem (CID 57120417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).