(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone

C19H15BrO — CID 107981732

IUPAC(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1cccc(C(=O)c2c(C)ccc3ccccc23)c1Br
InChIInChI=1S/C19H15BrO/c1-12-10-11-14-7-3-4-8-15(14)17(12)19(21)16-9-5-6-13(2)18(16)20/h3-11H,1-2H3
InChIKeyIUSRTGKHZYMJFS-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.45
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone

(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone (PubChem CID 107981732) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
PubChem CID107981732
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1cccc(C(=O)c2c(C)ccc3ccccc23)c1Br
InChIInChI=1S/C19H15BrO/c1-12-10-11-14-7-3-4-8-15(14)17(12)19(21)16-9-5-6-13(2)18(16)20/h3-11H,1-2H3
InChIKeyIUSRTGKHZYMJFS-UHFFFAOYSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 115937369
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone
CID 81430854
1-(2-bromo-3-methylphenyl)butan-1-one
CID 58572622
(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone
CID 58180804
(2-amino-6-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430902
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone (CID 107981732) is (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone is Cc1cccc(C(=O)c2c(C)ccc3ccccc23)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is IUSRTGKHZYMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c1-12-10-11-14-7-3-4-8-15(14)17(12)19(21)16-9-5-6-13(2)18(16)20/h3-11H,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone?
(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 339.23 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 107981732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).