(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone

C19H15BrO — CID 125473498

IUPAC(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone
SMILESCCc1ccc(C(=O)c2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C19H15BrO/c1-2-13-10-11-17(18(20)12-13)19(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-12H,2H2,1H3
InChIKeyVWAPZRCRMRUCCV-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.40
Rot. Bonds3

About (2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone

(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone (PubChem CID 125473498) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is (2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone
PubChem CID125473498
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone
SMILESCCc1ccc(C(=O)c2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C19H15BrO/c1-2-13-10-11-17(18(20)12-13)19(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-12H,2H2,1H3
InChIKeyVWAPZRCRMRUCCV-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

(6-ethylnaphthalen-1-yl)-phenylmethanone
CID 67944513
(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone
CID 79593276
(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone
CID 62344595
[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone
CID 58922083
(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone
CID 58180804
(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
CID 80532446
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
[3-[3,5-bis(naphthalene-1-carbonyl)benzoyl]-5-(naphthalene-1-carbonyl)phenyl]-naphthalen-1-ylmethanone;ethane;methanethiol;propane
CID 143925290
1-(2-bromo-4-ethylphenyl)-3-chloropropan-1-one
CID 118846965
(2,4-dibromophenyl)-isoquinolin-5-ylmethanone
CID 107944438
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone?
The IUPAC name of (2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone (CID 125473498) is (2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone is CCc1ccc(C(=O)c2cccc3ccccc23)c(Br)c1.
What is the InChIKey of (2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone?
The InChIKey is VWAPZRCRMRUCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c1-2-13-10-11-17(18(20)12-13)19(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-12H,2H2,1H3.
What are the key properties of (2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone?
(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone 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-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 125473498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).