1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone

C16H11ClOS — CID 55225077

IUPAC1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1ccc(Cl)s1
InChIInChI=1S/C16H11ClOS/c17-16-8-7-15(19-16)14(18)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2
InChIKeyBLVKQRSVVDXGHB-UHFFFAOYSA-N
MW286.78 g/mol
LogP4.98
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone

1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone (PubChem CID 55225077) has the molecular formula C16H11ClOS and a molecular weight of 286.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone
PubChem CID55225077
Molecular FormulaC16H11ClOS
Molecular Weight286.78 g/mol
Exact Mass286.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1ccc(Cl)s1
InChIInChI=1S/C16H11ClOS/c17-16-8-7-15(19-16)14(18)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2
InChIKeyBLVKQRSVVDXGHB-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone
CID 114974177
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 39735523
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 62276693
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
iodo 2-naphthalen-2-ylacetate
CID 129274840
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone
CID 102033077

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone (CID 55225077) is 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone?
The InChIKey is BLVKQRSVVDXGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClOS/c17-16-8-7-15(19-16)14(18)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone?
1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone has a molecular weight of 286.78 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 55225077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).