(2-bromophenyl)methyl 4-chlorobenzoate

C14H10BrClO2 — CID 102346194

IUPAC(2-bromophenyl)methyl 4-chlorobenzoate
SMILESO=C(OCc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClO2/c15-13-4-2-1-3-11(13)9-18-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2
InChIKeyALHDITKWZAOBHG-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.46
Rot. Bonds3

About (2-bromophenyl)methyl 4-chlorobenzoate

(2-bromophenyl)methyl 4-chlorobenzoate (PubChem CID 102346194) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is (2-bromophenyl)methyl 4-chlorobenzoate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 4-chlorobenzoate
PubChem CID102346194
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name(2-bromophenyl)methyl 4-chlorobenzoate
SMILESO=C(OCc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClO2/c15-13-4-2-1-3-11(13)9-18-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2
InChIKeyALHDITKWZAOBHG-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2-bromophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275099
(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate
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(2-bromophenyl)methyl 3-sulfanylbenzoate
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(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate
CID 106547527
(2-bromophenyl)methyl 2-aminopyridine-4-carboxylate
CID 82824073
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049
(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate
CID 61277657
(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate
CID 66465143
(2-bromophenyl)methyl 2-benzylbenzoate
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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 4-chlorobenzoate?
The IUPAC name of (2-bromophenyl)methyl 4-chlorobenzoate (CID 102346194) is (2-bromophenyl)methyl 4-chlorobenzoate.
What is the SMILES notation for (2-bromophenyl)methyl 4-chlorobenzoate?
The canonical SMILES for (2-bromophenyl)methyl 4-chlorobenzoate is O=C(OCc1ccccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of (2-bromophenyl)methyl 4-chlorobenzoate?
The InChIKey is ALHDITKWZAOBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c15-13-4-2-1-3-11(13)9-18-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2.
What are the key properties of (2-bromophenyl)methyl 4-chlorobenzoate?
(2-bromophenyl)methyl 4-chlorobenzoate has a molecular weight of 325.59 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 4-chlorobenzoate is sourced from PubChem (CID 102346194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).