(2-bromo-4-methylphenyl) 4-ethylbenzoate

C16H15BrO2 — CID 19225901

IUPAC(2-bromo-4-methylphenyl) 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H15BrO2/c1-3-12-5-7-13(8-6-12)16(18)19-15-9-4-11(2)10-14(15)17/h4-10H,3H2,1-2H3
InChIKeyYVFQOXAFKWULFA-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.54
Rot. Bonds3

About (2-bromo-4-methylphenyl) 4-ethylbenzoate

(2-bromo-4-methylphenyl) 4-ethylbenzoate (PubChem CID 19225901) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl) 4-ethylbenzoate.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl) 4-ethylbenzoate
PubChem CID19225901
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name(2-bromo-4-methylphenyl) 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H15BrO2/c1-3-12-5-7-13(8-6-12)16(18)19-15-9-4-11(2)10-14(15)17/h4-10H,3H2,1-2H3
InChIKeyYVFQOXAFKWULFA-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-4-methylphenyl) 4-ethoxybenzoate
CID 23011316
(2-bromo-4-methylphenyl) 4-hexoxybenzoate
CID 23011402
(2-bromo-4-methylphenyl) 3,5-dimethoxybenzoate
CID 7917990
(2-bromo-4-ethylphenyl) 4-propan-2-yloxybenzoate
CID 23011933
bis(2-bromo-4-fluorophenyl) benzene-1,4-dicarboxylate
CID 91742491
(2-bromo-4-methylphenyl) butanoate
CID 19184226
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
(2,4-dimethylphenyl) 3-bromo-4-butoxybenzoate
CID 23012184
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
CID 89316191
(2-bromo-4-methylphenyl) 3-nitrobenzoate
CID 675659
(2-bromo-4-methylphenyl) N,N-dimethylcarbamate
CID 125485280

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl) 4-ethylbenzoate?
The IUPAC name of (2-bromo-4-methylphenyl) 4-ethylbenzoate (CID 19225901) is (2-bromo-4-methylphenyl) 4-ethylbenzoate.
What is the SMILES notation for (2-bromo-4-methylphenyl) 4-ethylbenzoate?
The canonical SMILES for (2-bromo-4-methylphenyl) 4-ethylbenzoate is CCc1ccc(C(=O)Oc2ccc(C)cc2Br)cc1.
What is the InChIKey of (2-bromo-4-methylphenyl) 4-ethylbenzoate?
The InChIKey is YVFQOXAFKWULFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-3-12-5-7-13(8-6-12)16(18)19-15-9-4-11(2)10-14(15)17/h4-10H,3H2,1-2H3.
What are the key properties of (2-bromo-4-methylphenyl) 4-ethylbenzoate?
(2-bromo-4-methylphenyl) 4-ethylbenzoate has a molecular weight of 319.20 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl) 4-ethylbenzoate is sourced from PubChem (CID 19225901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).