(2-bromophenyl)methyl benzoate

C14H11BrO2 — CID 16719031

IUPAC(2-bromophenyl)methyl benzoate
SMILESO=C(OCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H11BrO2/c15-13-9-5-4-8-12(13)10-17-14(16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDETHHGJSHHWELU-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.81
Rot. Bonds3

About (2-bromophenyl)methyl benzoate

(2-bromophenyl)methyl benzoate (PubChem CID 16719031) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is (2-bromophenyl)methyl benzoate.

Molecular Properties

Compound Name(2-bromophenyl)methyl benzoate
PubChem CID16719031
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name(2-bromophenyl)methyl benzoate
SMILESO=C(OCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H11BrO2/c15-13-9-5-4-8-12(13)10-17-14(16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDETHHGJSHHWELU-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl benzoate?
The IUPAC name of (2-bromophenyl)methyl benzoate (CID 16719031) is (2-bromophenyl)methyl benzoate.
What is the SMILES notation for (2-bromophenyl)methyl benzoate?
The canonical SMILES for (2-bromophenyl)methyl benzoate is O=C(OCc1ccccc1Br)c1ccccc1.
What is the InChIKey of (2-bromophenyl)methyl benzoate?
The InChIKey is DETHHGJSHHWELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-13-9-5-4-8-12(13)10-17-14(16)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of (2-bromophenyl)methyl benzoate?
(2-bromophenyl)methyl benzoate has a molecular weight of 291.14 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl benzoate is sourced from PubChem (CID 16719031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).