1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene

C19H18O2S — CID 10403136

IUPAC1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene
SMILESCOc1cc(Sc2ccc(C)cc2)c(OC)c2ccccc12
InChIInChI=1S/C19H18O2S/c1-13-8-10-14(11-9-13)22-18-12-17(20-2)15-6-4-5-7-16(15)19(18)21-3/h4-12H,1-3H3
InChIKeyPRVNXWRWJWEIFP-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.32
Rot. Bonds4

About 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene

1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene (PubChem CID 10403136) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene.

Molecular Properties

Compound Name1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene
PubChem CID10403136
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene
SMILESCOc1cc(Sc2ccc(C)cc2)c(OC)c2ccccc12
InChIInChI=1S/C19H18O2S/c1-13-8-10-14(11-9-13)22-18-12-17(20-2)15-6-4-5-7-16(15)19(18)21-3/h4-12H,1-3H3
InChIKeyPRVNXWRWJWEIFP-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene?
The IUPAC name of 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene (CID 10403136) is 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene.
What is the SMILES notation for 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene?
The canonical SMILES for 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene is COc1cc(Sc2ccc(C)cc2)c(OC)c2ccccc12.
What is the InChIKey of 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene?
The InChIKey is PRVNXWRWJWEIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-13-8-10-14(11-9-13)22-18-12-17(20-2)15-6-4-5-7-16(15)19(18)21-3/h4-12H,1-3H3.
What are the key properties of 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene?
1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene has a molecular weight of 310.42 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-(4-methylphenyl)sulfanylnaphthalene is sourced from PubChem (CID 10403136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).