(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone

C16H15BrO — CID 65306723

IUPAC(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(Br)ccc2C)cc1
InChIInChI=1S/C16H15BrO/c1-3-12-5-7-13(8-6-12)16(18)15-10-14(17)9-4-11(15)2/h4-10H,3H2,1-2H3
InChIKeySIFYWDSJFJRPEX-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.55
Rot. Bonds3

About (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone

(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone (PubChem CID 65306723) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
PubChem CID65306723
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(Br)ccc2C)cc1
InChIInChI=1S/C16H15BrO/c1-3-12-5-7-13(8-6-12)16(18)15-10-14(17)9-4-11(15)2/h4-10H,3H2,1-2H3
InChIKeySIFYWDSJFJRPEX-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone (CID 65306723) is (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2cc(Br)ccc2C)cc1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone?
The InChIKey is SIFYWDSJFJRPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-3-12-5-7-13(8-6-12)16(18)15-10-14(17)9-4-11(15)2/h4-10H,3H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone?
(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone has a molecular weight of 303.20 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 65306723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).