naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone

C21H14OS — CID 132563110

IUPACnaphthalen-2-yl-(2-phenylthiophen-3-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1ccsc1-c1ccccc1
InChIInChI=1S/C21H14OS/c22-20(18-11-10-15-6-4-5-9-17(15)14-18)19-12-13-23-21(19)16-7-2-1-3-8-16/h1-14H
InChIKeyKMPBOKPJFSPNKG-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.80
Rot. Bonds3

About naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone

naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone (PubChem CID 132563110) has the molecular formula C21H14OS and a molecular weight of 314.41 g/mol. Its IUPAC name is naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-(2-phenylthiophen-3-yl)methanone
PubChem CID132563110
Molecular FormulaC21H14OS
Molecular Weight314.41 g/mol
Exact Mass314.08
IUPAC Namenaphthalen-2-yl-(2-phenylthiophen-3-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1ccsc1-c1ccccc1
InChIInChI=1S/C21H14OS/c22-20(18-11-10-15-6-4-5-9-17(15)14-18)19-12-13-23-21(19)16-7-2-1-3-8-16/h1-14H
InChIKeyKMPBOKPJFSPNKG-UHFFFAOYSA-N
XLogP5.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43339492
naphthalene-2-carboxylic acid
CID 175967775
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
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
naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone
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(4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone
CID 58626356
potassium naphthalene-2-carboxylate
CID 23664129
mercury(2+);bis(naphthalene-2-carboxylate)
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CID 86738660

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone?
The IUPAC name of naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone (CID 132563110) is naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone.
What is the SMILES notation for naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone?
The canonical SMILES for naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone is O=C(c1ccc2ccccc2c1)c1ccsc1-c1ccccc1.
What is the InChIKey of naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone?
The InChIKey is KMPBOKPJFSPNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14OS/c22-20(18-11-10-15-6-4-5-9-17(15)14-18)19-12-13-23-21(19)16-7-2-1-3-8-16/h1-14H.
What are the key properties of naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone?
naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone has a molecular weight of 314.41 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone is sourced from PubChem (CID 132563110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).