2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene

C21H16OS — CID 68966616

IUPAC2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene
SMILESCOc1cc(-c2ccc(-c3cccs3)cc2)c2ccccc2c1
InChIInChI=1S/C21H16OS/c1-22-18-13-17-5-2-3-6-19(17)20(14-18)15-8-10-16(11-9-15)21-7-4-12-23-21/h2-14H,1H3
InChIKeyZGHVOVVNPYAAQC-UHFFFAOYSA-N
MW316.43 g/mol
LogP6.24
Rot. Bonds3

About 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene

2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene (PubChem CID 68966616) has the molecular formula C21H16OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene.

Molecular Properties

Compound Name2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene
PubChem CID68966616
Molecular FormulaC21H16OS
Molecular Weight316.43 g/mol
Exact Mass316.09
IUPAC Name2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene
SMILESCOc1cc(-c2ccc(-c3cccs3)cc2)c2ccccc2c1
InChIInChI=1S/C21H16OS/c1-22-18-13-17-5-2-3-6-19(17)20(14-18)15-8-10-16(11-9-15)21-7-4-12-23-21/h2-14H,1H3
InChIKeyZGHVOVVNPYAAQC-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene?
The IUPAC name of 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene (CID 68966616) is 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene.
What is the SMILES notation for 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene?
The canonical SMILES for 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene is COc1cc(-c2ccc(-c3cccs3)cc2)c2ccccc2c1.
What is the InChIKey of 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene?
The InChIKey is ZGHVOVVNPYAAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16OS/c1-22-18-13-17-5-2-3-6-19(17)20(14-18)15-8-10-16(11-9-15)21-7-4-12-23-21/h2-14H,1H3.
What are the key properties of 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene?
2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene has a molecular weight of 316.43 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene is sourced from PubChem (CID 68966616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).