1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene

C24H22OS — CID 157140153

IUPAC1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene
SMILESCOc1cc2ccccc2cc1SC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H12OS.C12H10/c1-13-11-7-9-5-3-4-6-10(9)8-12(11)14-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-8H,1-2H3;1-10H
InChIKeyAKCFNXWSJXYPEB-UHFFFAOYSA-N
MW358.51 g/mol
LogP6.92
Rot. Bonds3

About 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene

1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene (PubChem CID 157140153) has the molecular formula C24H22OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene.

Molecular Properties

Compound Name1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene
PubChem CID157140153
Molecular FormulaC24H22OS
Molecular Weight358.51 g/mol
Exact Mass358.14
IUPAC Name1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene
SMILESCOc1cc2ccccc2cc1SC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H12OS.C12H10/c1-13-11-7-9-5-3-4-6-10(9)8-12(11)14-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-8H,1-2H3;1-10H
InChIKeyAKCFNXWSJXYPEB-UHFFFAOYSA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-methylsulfanyl-6-phenylnaphthalene
CID 140625347
2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene
CID 140625350
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
anisole;1,1'-biphenyl;naphthalene
CID 161250692
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol
CID 130855311
CID 90433687
CID 90433687
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1,3-dimethoxy-5-phenylbenzene
CID 11469945
3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene?
The IUPAC name of 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene (CID 157140153) is 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene.
What is the SMILES notation for 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene?
The canonical SMILES for 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene is COc1cc2ccccc2cc1SC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene?
The InChIKey is AKCFNXWSJXYPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS.C12H10/c1-13-11-7-9-5-3-4-6-10(9)8-12(11)14-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-8H,1-2H3;1-10H.
What are the key properties of 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene?
1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene has a molecular weight of 358.51 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene is sourced from PubChem (CID 157140153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).