(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone

C19H15BrO — CID 79593276

IUPAC(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C19H15BrO/c1-2-13-7-9-14(10-8-13)19(21)17-11-12-18(20)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3
InChIKeyFANBBXBDCBJCHG-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.40
Rot. Bonds3

About (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone

(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone (PubChem CID 79593276) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone
PubChem CID79593276
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C19H15BrO/c1-2-13-7-9-14(10-8-13)19(21)17-11-12-18(20)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3
InChIKeyFANBBXBDCBJCHG-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-bromo-5-iodophenyl)-(4-ethylphenyl)methanone
CID 58385804
(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone
CID 125473498
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
(4-bromonaphthalene-1-carbonyl) 4-bromonaphthalene-1-carboxylate
CID 57234554
(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
CID 82779875
3-(4-bromonaphthalen-1-yl)-3-oxopropanenitrile
CID 11832579
(4-bromonaphthalen-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79593292
(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
CID 116560466
(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
CID 65306723
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
CID 19777087
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone
CID 79596715

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone (CID 79593276) is (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2ccc(Br)c3ccccc23)cc1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone?
The InChIKey is FANBBXBDCBJCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c1-2-13-7-9-14(10-8-13)19(21)17-11-12-18(20)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3.
What are the key properties of (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone?
(4-bromonaphthalen-1-yl)-(4-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 (4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 79593276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).