naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone

C24H22OS — CID 134146248

IUPACnaphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone
SMILESCCCCCc1sc2ccccc2c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H22OS/c1-2-3-4-16-22-23(20-13-7-8-15-21(20)26-22)24(25)19-14-9-11-17-10-5-6-12-18(17)19/h5-15H,2-4,16H2,1H3
InChIKeyCYHJJFKNECOYOP-UHFFFAOYSA-N
MW358.51 g/mol
LogP7.02
Rot. Bonds6

About naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone

naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone (PubChem CID 134146248) has the molecular formula C24H22OS and a molecular weight of 358.51 g/mol. Its IUPAC name is naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone
PubChem CID134146248
Molecular FormulaC24H22OS
Molecular Weight358.51 g/mol
Exact Mass358.14
IUPAC Namenaphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone
SMILESCCCCCc1sc2ccccc2c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H22OS/c1-2-3-4-16-22-23(20-13-7-8-15-21(20)26-22)24(25)19-14-9-11-17-10-5-6-12-18(17)19/h5-15H,2-4,16H2,1H3
InChIKeyCYHJJFKNECOYOP-UHFFFAOYSA-N
XLogP7.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone?
The IUPAC name of naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone (CID 134146248) is naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone is CCCCCc1sc2ccccc2c1C(=O)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone?
The InChIKey is CYHJJFKNECOYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22OS/c1-2-3-4-16-22-23(20-13-7-8-15-21(20)26-22)24(25)19-14-9-11-17-10-5-6-12-18(17)19/h5-15H,2-4,16H2,1H3.
What are the key properties of naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone?
naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone has a molecular weight of 358.51 g/mol, XLogP of 7.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2-pentyl-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 134146248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).