[hydroxy(phenyl)methyl] benzoate

C14H12O3 — CID 22715526

IUPAC[hydroxy(phenyl)methyl] benzoate
SMILESO=C(OC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyHSRYBZDRWXSDCQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.53
Rot. Bonds3

About [hydroxy(phenyl)methyl] benzoate

[hydroxy(phenyl)methyl] benzoate (PubChem CID 22715526) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is [hydroxy(phenyl)methyl] benzoate.

Molecular Properties

Compound Name[hydroxy(phenyl)methyl] benzoate
PubChem CID22715526
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name[hydroxy(phenyl)methyl] benzoate
SMILESO=C(OC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyHSRYBZDRWXSDCQ-UHFFFAOYSA-N
XLogP2.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethyl benzoate
CID 174857426
[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
CID 15182984
[(2S,4R,5S)-5-hydroxy-4-methyl-3-oxo-5-phenylpentan-2-yl] benzoate
CID 11001455
(2-chloro-2-oxo-1-phenylethyl) benzoate
CID 10659973
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
(2-cyano-2-hydroxy-1-phenylethyl) benzoate
CID 135043818
[(R)-cyano(phenyl)methyl] benzoate
CID 12617356
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
bis(2,2,2-trifluoro-1-phenylethyl) benzene-1,4-dicarboxylate
CID 91741868
[(2R)-2-hydroxy-2-phenylacetyl] benzoate
CID 139898238
[(1S,2R)-2-amino-1-phenylpropyl] benzoate
CID 99718446
[benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride
CID 71415689

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenyl)methyl] benzoate?
The IUPAC name of [hydroxy(phenyl)methyl] benzoate (CID 22715526) is [hydroxy(phenyl)methyl] benzoate.
What is the SMILES notation for [hydroxy(phenyl)methyl] benzoate?
The canonical SMILES for [hydroxy(phenyl)methyl] benzoate is O=C(OC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of [hydroxy(phenyl)methyl] benzoate?
The InChIKey is HSRYBZDRWXSDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10,13,15H.
What are the key properties of [hydroxy(phenyl)methyl] benzoate?
[hydroxy(phenyl)methyl] benzoate has a molecular weight of 228.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenyl)methyl] benzoate is sourced from PubChem (CID 22715526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).