1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene

C22H18OS — CID 4267790

IUPAC1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene
SMILESCc1ccc(S(=O)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C22H18OS/c1-15-11-13-21(19-9-5-3-7-17(15)19)24(23)22-14-12-16(2)18-8-4-6-10-20(18)22/h3-14H,1-2H3
InChIKeyPNTOYUHESOHKLY-UHFFFAOYSA-N
MW330.45 g/mol
LogP5.78
Rot. Bonds2

About 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene

1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene (PubChem CID 4267790) has the molecular formula C22H18OS and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene.

Molecular Properties

Compound Name1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene
PubChem CID4267790
Molecular FormulaC22H18OS
Molecular Weight330.45 g/mol
Exact Mass330.11
IUPAC Name1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene
SMILESCc1ccc(S(=O)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C22H18OS/c1-15-11-13-21(19-9-5-3-7-17(15)19)24(23)22-14-12-16(2)18-8-4-6-10-20(18)22/h3-14H,1-2H3
InChIKeyPNTOYUHESOHKLY-UHFFFAOYSA-N
XLogP5.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene?
The IUPAC name of 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene (CID 4267790) is 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene.
What is the SMILES notation for 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene?
The canonical SMILES for 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene is Cc1ccc(S(=O)c2ccc(C)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene?
The InChIKey is PNTOYUHESOHKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18OS/c1-15-11-13-21(19-9-5-3-7-17(15)19)24(23)22-14-12-16(2)18-8-4-6-10-20(18)22/h3-14H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene?
1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene has a molecular weight of 330.45 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene is sourced from PubChem (CID 4267790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).