cyclohexen-1-yl(naphthalen-2-yl)methanone

C17H16O — CID 62078640

IUPACcyclohexen-1-yl(naphthalen-2-yl)methanone
SMILESO=C(C1=CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H16O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h4-7,9-12H,1-3,8H2
InChIKeyGIHZTSMQFUNWTN-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.52
Rot. Bonds2

About cyclohexen-1-yl(naphthalen-2-yl)methanone

cyclohexen-1-yl(naphthalen-2-yl)methanone (PubChem CID 62078640) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is cyclohexen-1-yl(naphthalen-2-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(naphthalen-2-yl)methanone
PubChem CID62078640
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Namecyclohexen-1-yl(naphthalen-2-yl)methanone
SMILESO=C(C1=CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H16O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h4-7,9-12H,1-3,8H2
InChIKeyGIHZTSMQFUNWTN-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobuten-1-yl(naphthalen-2-yl)methanone
CID 102414446
(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
CID 115353718
dinaphthalen-2-ylmethanone
CID 10945915
1,3-benzodioxol-5-yl(cyclohepten-1-yl)methanone
CID 114999931
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 106655875
(3-chloro-4-iodophenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655975
[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
CID 106651853
cyclohepten-1-yl(quinolin-2-yl)methanone
CID 106651833
(4-amino-3-bromophenyl)-(cyclohepten-1-yl)methanone
CID 106655438
cyclopenten-1-yl-(3-methylphenyl)methanone
CID 62080308
cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200881
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(naphthalen-2-yl)methanone?
The IUPAC name of cyclohexen-1-yl(naphthalen-2-yl)methanone (CID 62078640) is cyclohexen-1-yl(naphthalen-2-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl(naphthalen-2-yl)methanone?
The canonical SMILES for cyclohexen-1-yl(naphthalen-2-yl)methanone is O=C(C1=CCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of cyclohexen-1-yl(naphthalen-2-yl)methanone?
The InChIKey is GIHZTSMQFUNWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h4-7,9-12H,1-3,8H2.
What are the key properties of cyclohexen-1-yl(naphthalen-2-yl)methanone?
cyclohexen-1-yl(naphthalen-2-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(naphthalen-2-yl)methanone is sourced from PubChem (CID 62078640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).