naphthalen-2-yl(phenyl)(113C)methanone

C17H12O — CID 101359138

IUPACnaphthalen-2-yl(phenyl)(113C)methanone
SMILESO=[13C](c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H/i17+1
InChIKeySJNXJRVDSTZUFB-CAAGJAQSSA-N
MW233.27 g/mol
LogP4.07
Rot. Bonds2

About naphthalen-2-yl(phenyl)(113C)methanone

naphthalen-2-yl(phenyl)(113C)methanone (PubChem CID 101359138) has the molecular formula C17H12O and a molecular weight of 233.27 g/mol. Its IUPAC name is naphthalen-2-yl(phenyl)(113C)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl(phenyl)(113C)methanone
PubChem CID101359138
Molecular FormulaC17H12O
Molecular Weight233.27 g/mol
Exact Mass233.09
IUPAC Namenaphthalen-2-yl(phenyl)(113C)methanone
SMILESO=[13C](c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H/i17+1
InChIKeySJNXJRVDSTZUFB-CAAGJAQSSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

dinaphthalen-2-ylmethanone
CID 10945915
anthracene;diphenylmethanone
CID 87408663
phenanthren-2-yl(phenyl)methanone
CID 131857195
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
naphthalene-2-carboxylic acid
CID 175967775
6-benzoylnaphthalene-2-carbaldehyde
CID 160521224
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
diphenylmethanone
CID 3102
naphthalen-2-yl(1H-pyrrol-2-yl)methanone
CID 63749786
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(phenyl)(113C)methanone?
The IUPAC name of naphthalen-2-yl(phenyl)(113C)methanone (CID 101359138) is naphthalen-2-yl(phenyl)(113C)methanone.
What is the SMILES notation for naphthalen-2-yl(phenyl)(113C)methanone?
The canonical SMILES for naphthalen-2-yl(phenyl)(113C)methanone is O=[13C](c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl(phenyl)(113C)methanone?
The InChIKey is SJNXJRVDSTZUFB-CAAGJAQSSA-N. The full InChI is InChI=1S/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H/i17+1.
What are the key properties of naphthalen-2-yl(phenyl)(113C)methanone?
naphthalen-2-yl(phenyl)(113C)methanone has a molecular weight of 233.27 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(phenyl)(113C)methanone is sourced from PubChem (CID 101359138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).