(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone

C17H15BrO — CID 115353718

IUPAC(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
SMILESO=C(C1=CCCCC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H15BrO/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h4,6-11H,1-3,5H2
InChIKeyJBEKVKDHQGCVNJ-UHFFFAOYSA-N
MW315.21 g/mol
LogP5.29
Rot. Bonds2

About (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone

(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone (PubChem CID 115353718) has the molecular formula C17H15BrO and a molecular weight of 315.21 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
PubChem CID115353718
Molecular FormulaC17H15BrO
Molecular Weight315.21 g/mol
Exact Mass314.03
IUPAC Name(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
SMILESO=C(C1=CCCCC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H15BrO/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h4,6-11H,1-3,5H2
InChIKeyJBEKVKDHQGCVNJ-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.21
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 62078640
(4-amino-3-bromophenyl)-(cyclohepten-1-yl)methanone
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(3-bromo-5-chlorophenyl)-[(1E)-cycloocten-1-yl]methanone
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[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
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(3-chloro-4-iodophenyl)-[(1E)-cycloocten-1-yl]methanone
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[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
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1,3-benzodioxol-5-yl(cyclohepten-1-yl)methanone
CID 114999931
cyclobuten-1-yl(naphthalen-2-yl)methanone
CID 102414446
(2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone
CID 130516001
cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 62078132
cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200881
[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
CID 106651781

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone?
The IUPAC name of (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone (CID 115353718) is (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone is O=C(C1=CCCCC1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone?
The InChIKey is JBEKVKDHQGCVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h4,6-11H,1-3,5H2.
What are the key properties of (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone?
(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone has a molecular weight of 315.21 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone is sourced from PubChem (CID 115353718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).