(2-bromo-4-phenylphenyl) 2-methylbenzoate

C20H15BrO2 — CID 4960503

IUPAC(2-bromo-4-phenylphenyl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C20H15BrO2/c1-14-7-5-6-10-17(14)20(22)23-19-12-11-16(13-18(19)21)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyLVMLKYHDHHATAE-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.64
Rot. Bonds3

About (2-bromo-4-phenylphenyl) 2-methylbenzoate

(2-bromo-4-phenylphenyl) 2-methylbenzoate (PubChem CID 4960503) has the molecular formula C20H15BrO2 and a molecular weight of 367.24 g/mol. Its IUPAC name is (2-bromo-4-phenylphenyl) 2-methylbenzoate.

Molecular Properties

Compound Name(2-bromo-4-phenylphenyl) 2-methylbenzoate
PubChem CID4960503
Molecular FormulaC20H15BrO2
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name(2-bromo-4-phenylphenyl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C20H15BrO2/c1-14-7-5-6-10-17(14)20(22)23-19-12-11-16(13-18(19)21)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyLVMLKYHDHHATAE-UHFFFAOYSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.64
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-phenylphenyl) 3-bromo-4-propoxybenzoate
CID 23012636
ethyl 2-[2-(2-bromo-4-phenylphenoxy)acetyl]oxybenzoate
CID 23012588
(2-bromo-4-methylphenyl) 2-fluorobenzoate
CID 23011824
(2-bromo-4-phenylphenyl) 3-(3,4-dimethoxyphenyl)propanoate
CID 19220763
(4-tert-butyl-2-methylphenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012604
(2,4-dibromo-6-methylphenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012561
(2,4-dibromophenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012557
(2-bromo-4-phenylphenyl) 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225786
(2-bromo-4-phenylphenyl) sulfamate
CID 23508489
(2-bromo-4-phenylphenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179427
2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide
CID 4960831
(2,4-dibromophenyl) 2-fluorobenzoate
CID 23011822

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-phenylphenyl) 2-methylbenzoate?
The IUPAC name of (2-bromo-4-phenylphenyl) 2-methylbenzoate (CID 4960503) is (2-bromo-4-phenylphenyl) 2-methylbenzoate.
What is the SMILES notation for (2-bromo-4-phenylphenyl) 2-methylbenzoate?
The canonical SMILES for (2-bromo-4-phenylphenyl) 2-methylbenzoate is Cc1ccccc1C(=O)Oc1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of (2-bromo-4-phenylphenyl) 2-methylbenzoate?
The InChIKey is LVMLKYHDHHATAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO2/c1-14-7-5-6-10-17(14)20(22)23-19-12-11-16(13-18(19)21)15-8-3-2-4-9-15/h2-13H,1H3.
What are the key properties of (2-bromo-4-phenylphenyl) 2-methylbenzoate?
(2-bromo-4-phenylphenyl) 2-methylbenzoate has a molecular weight of 367.24 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-phenylphenyl) 2-methylbenzoate is sourced from PubChem (CID 4960503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).