(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone

C18H13BrO — CID 81430357

IUPAC(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrO/c1-12-6-7-13-4-2-3-5-16(13)17(12)18(20)14-8-10-15(19)11-9-14/h2-11H,1H3
InChIKeyOJZMSWZTGOIPIE-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.14
Rot. Bonds2

About (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone

(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone (PubChem CID 81430357) has the molecular formula C18H13BrO and a molecular weight of 325.21 g/mol. Its IUPAC name is (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
PubChem CID81430357
Molecular FormulaC18H13BrO
Molecular Weight325.21 g/mol
Exact Mass324.01
IUPAC Name(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrO/c1-12-6-7-13-4-2-3-5-16(13)17(12)18(20)14-8-10-15(19)11-9-14/h2-11H,1H3
InChIKeyOJZMSWZTGOIPIE-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone
CID 81430854
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107981732
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone
CID 3948314
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600
[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone
CID 141279941
(2-amino-6-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430902
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
CID 81430771

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone (CID 81430357) is (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone is Cc1ccc2ccccc2c1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is OJZMSWZTGOIPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO/c1-12-6-7-13-4-2-3-5-16(13)17(12)18(20)14-8-10-15(19)11-9-14/h2-11H,1H3.
What are the key properties of (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone?
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 325.21 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 81430357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).