(3-benzoyl-2-hydroxyphenyl)methyl acetate

C16H14O4 — CID 141325026

IUPAC(3-benzoyl-2-hydroxyphenyl)methyl acetate
SMILESCC(=O)OCc1cccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C16H14O4/c1-11(17)20-10-13-8-5-9-14(16(13)19)15(18)12-6-3-2-4-7-12/h2-9,19H,10H2,1H3
InChIKeyZJMWWDFYAZLGLC-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.69
Rot. Bonds4

About (3-benzoyl-2-hydroxyphenyl)methyl acetate

(3-benzoyl-2-hydroxyphenyl)methyl acetate (PubChem CID 141325026) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (3-benzoyl-2-hydroxyphenyl)methyl acetate.

Molecular Properties

Compound Name(3-benzoyl-2-hydroxyphenyl)methyl acetate
PubChem CID141325026
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(3-benzoyl-2-hydroxyphenyl)methyl acetate
SMILESCC(=O)OCc1cccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C16H14O4/c1-11(17)20-10-13-8-5-9-14(16(13)19)15(18)12-6-3-2-4-7-12/h2-9,19H,10H2,1H3
InChIKeyZJMWWDFYAZLGLC-UHFFFAOYSA-N
XLogP2.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
(2-benzoylthiophen-3-yl)methyl acetate
CID 134109322
ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid
CID 174414438
(2-acetyloxyphenyl)methyl acetate
CID 10889107
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
(2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate
CID 16751644
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
ethane;(2-methylphenyl)methyl acetate
CID 143177732
[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
CID 102370759
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
(2-sulfanylphenyl)methyl acetate
CID 118370744

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-2-hydroxyphenyl)methyl acetate?
The IUPAC name of (3-benzoyl-2-hydroxyphenyl)methyl acetate (CID 141325026) is (3-benzoyl-2-hydroxyphenyl)methyl acetate.
What is the SMILES notation for (3-benzoyl-2-hydroxyphenyl)methyl acetate?
The canonical SMILES for (3-benzoyl-2-hydroxyphenyl)methyl acetate is CC(=O)OCc1cccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (3-benzoyl-2-hydroxyphenyl)methyl acetate?
The InChIKey is ZJMWWDFYAZLGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11(17)20-10-13-8-5-9-14(16(13)19)15(18)12-6-3-2-4-7-12/h2-9,19H,10H2,1H3.
What are the key properties of (3-benzoyl-2-hydroxyphenyl)methyl acetate?
(3-benzoyl-2-hydroxyphenyl)methyl acetate has a molecular weight of 270.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-2-hydroxyphenyl)methyl acetate is sourced from PubChem (CID 141325026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).