(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone

C19H15BrO — CID 58180804

IUPAC(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C19H15BrO/c1-2-13-7-3-6-10-16(13)19(21)18-15-9-5-4-8-14(15)11-12-17(18)20/h3-12H,2H2,1H3
InChIKeyBUDULNYXWQPKJO-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.40
Rot. Bonds3

About (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone

(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone (PubChem CID 58180804) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone
PubChem CID58180804
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C19H15BrO/c1-2-13-7-3-6-10-16(13)19(21)18-15-9-5-4-8-14(15)11-12-17(18)20/h3-12H,2H2,1H3
InChIKeyBUDULNYXWQPKJO-UHFFFAOYSA-N
XLogP5.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromonaphthalene-1-carbonyl chloride;ethane
CID 144648611
(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107981732
(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone
CID 125473498
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 164952151
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357

Frequently Asked Questions

What is the IUPAC name of (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone?
The IUPAC name of (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone (CID 58180804) is (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone.
What is the SMILES notation for (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone?
The canonical SMILES for (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone is CCc1ccccc1C(=O)c1c(Br)ccc2ccccc12.
What is the InChIKey of (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone?
The InChIKey is BUDULNYXWQPKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c1-2-13-7-3-6-10-16(13)19(21)18-15-9-5-4-8-14(15)11-12-17(18)20/h3-12H,2H2,1H3.
What are the key properties of (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone?
(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone has a molecular weight of 339.23 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone is sourced from PubChem (CID 58180804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).