3-methoxy-2-methylsulfanyl-6-phenylnaphthalene

C18H16OS — CID 140625347

IUPAC3-methoxy-2-methylsulfanyl-6-phenylnaphthalene
SMILESCOc1cc2cc(-c3ccccc3)ccc2cc1SC
InChIInChI=1S/C18H16OS/c1-19-17-11-16-10-14(13-6-4-3-5-7-13)8-9-15(16)12-18(17)20-2/h3-12H,1-2H3
InChIKeyHHVFFSIKBGJKGK-UHFFFAOYSA-N
MW280.39 g/mol
LogP5.24
Rot. Bonds3

About 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene

3-methoxy-2-methylsulfanyl-6-phenylnaphthalene (PubChem CID 140625347) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene.

Molecular Properties

Compound Name3-methoxy-2-methylsulfanyl-6-phenylnaphthalene
PubChem CID140625347
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name3-methoxy-2-methylsulfanyl-6-phenylnaphthalene
SMILESCOc1cc2cc(-c3ccccc3)ccc2cc1SC
InChIInChI=1S/C18H16OS/c1-19-17-11-16-10-14(13-6-4-3-5-7-13)8-9-15(16)12-18(17)20-2/h3-12H,1-2H3
InChIKeyHHVFFSIKBGJKGK-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.39
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene
CID 157140153
2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene
CID 140625350
2-methoxy-6-phenylnaphthalene
CID 11253308
2,7-diphenylanthracene
CID 154020316
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
2-(4-methylphenyl)-7-phenylnaphthalene
CID 155763940
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-azulen-2-yl-6,7-dimethoxyquinoline
CID 10591430
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene?
The IUPAC name of 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene (CID 140625347) is 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene.
What is the SMILES notation for 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene?
The canonical SMILES for 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene is COc1cc2cc(-c3ccccc3)ccc2cc1SC.
What is the InChIKey of 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene?
The InChIKey is HHVFFSIKBGJKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-19-17-11-16-10-14(13-6-4-3-5-7-13)8-9-15(16)12-18(17)20-2/h3-12H,1-2H3.
What are the key properties of 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene?
3-methoxy-2-methylsulfanyl-6-phenylnaphthalene has a molecular weight of 280.39 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylsulfanyl-6-phenylnaphthalene is sourced from PubChem (CID 140625347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).