2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene

C19H18OS — CID 140625350

IUPAC2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene
SMILESCOc1cc2ccc(-c3ccccc3C)cc2cc1SC
InChIInChI=1S/C19H18OS/c1-13-6-4-5-7-17(13)15-9-8-14-11-18(20-2)19(21-3)12-16(14)10-15/h4-12H,1-3H3
InChIKeyTXVVQPZWKAXWJS-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.55
Rot. Bonds3

About 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene

2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene (PubChem CID 140625350) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene.

Molecular Properties

Compound Name2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene
PubChem CID140625350
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene
SMILESCOc1cc2ccc(-c3ccccc3C)cc2cc1SC
InChIInChI=1S/C19H18OS/c1-13-6-4-5-7-17(13)15-9-8-14-11-18(20-2)19(21-3)12-16(14)10-15/h4-12H,1-3H3
InChIKeyTXVVQPZWKAXWJS-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene?
The IUPAC name of 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene (CID 140625350) is 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene.
What is the SMILES notation for 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene?
The canonical SMILES for 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene is COc1cc2ccc(-c3ccccc3C)cc2cc1SC.
What is the InChIKey of 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene?
The InChIKey is TXVVQPZWKAXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c1-13-6-4-5-7-17(13)15-9-8-14-11-18(20-2)19(21-3)12-16(14)10-15/h4-12H,1-3H3.
What are the key properties of 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene?
2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene has a molecular weight of 294.42 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene is sourced from PubChem (CID 140625350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).