4-methyl-2-(7-methylnaphthalen-2-yl)thiophene

C16H14S — CID 70851584

IUPAC4-methyl-2-(7-methylnaphthalen-2-yl)thiophene
SMILESCc1csc(-c2ccc3ccc(C)cc3c2)c1
InChIInChI=1S/C16H14S/c1-11-3-4-13-5-6-14(9-15(13)7-11)16-8-12(2)10-17-16/h3-10H,1-2H3
InChIKeyXDCILFKFZSOBAB-UHFFFAOYSA-N
MW238.35 g/mol
LogP5.19
Rot. Bonds1

About 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene

4-methyl-2-(7-methylnaphthalen-2-yl)thiophene (PubChem CID 70851584) has the molecular formula C16H14S and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene.

Molecular Properties

Compound Name4-methyl-2-(7-methylnaphthalen-2-yl)thiophene
PubChem CID70851584
Molecular FormulaC16H14S
Molecular Weight238.35 g/mol
Exact Mass238.08
IUPAC Name4-methyl-2-(7-methylnaphthalen-2-yl)thiophene
SMILESCc1csc(-c2ccc3ccc(C)cc3c2)c1
InChIInChI=1S/C16H14S/c1-11-3-4-13-5-6-14(9-15(13)7-11)16-8-12(2)10-17-16/h3-10H,1-2H3
InChIKeyXDCILFKFZSOBAB-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.35
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene?
The IUPAC name of 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene (CID 70851584) is 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene.
What is the SMILES notation for 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene?
The canonical SMILES for 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene is Cc1csc(-c2ccc3ccc(C)cc3c2)c1.
What is the InChIKey of 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene?
The InChIKey is XDCILFKFZSOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-11-3-4-13-5-6-14(9-15(13)7-11)16-8-12(2)10-17-16/h3-10H,1-2H3.
What are the key properties of 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene?
4-methyl-2-(7-methylnaphthalen-2-yl)thiophene has a molecular weight of 238.35 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(7-methylnaphthalen-2-yl)thiophene is sourced from PubChem (CID 70851584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).