(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone

C18H12BrClO — CID 81430855

IUPAC(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H12BrClO/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(21)15-10-13(19)8-9-16(15)20/h2-10H,1H3
InChIKeyYXKHGJZMGUTYBA-UHFFFAOYSA-N
MW359.65 g/mol
LogP5.80
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone

(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone (PubChem CID 81430855) has the molecular formula C18H12BrClO and a molecular weight of 359.65 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
PubChem CID81430855
Molecular FormulaC18H12BrClO
Molecular Weight359.65 g/mol
Exact Mass357.98
IUPAC Name(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H12BrClO/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(21)15-10-13(19)8-9-16(15)20/h2-10H,1H3
InChIKeyYXKHGJZMGUTYBA-UHFFFAOYSA-N
XLogP5.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.65
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107981732
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 115937369
(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
CID 114970356
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
CID 81430771
(2-amino-6-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430902
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone (CID 81430855) is (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone is Cc1ccc2ccccc2c1C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is YXKHGJZMGUTYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClO/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(21)15-10-13(19)8-9-16(15)20/h2-10H,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 359.65 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 81430855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).