2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene

C22H18O2S — CID 14147526

IUPAC2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene
SMILESCOc1ccc2ccccc2c1Sc1c(OC)ccc2ccccc12
InChIInChI=1S/C22H18O2S/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)25-22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3
InChIKeyDZYCPGDDKZKARX-UHFFFAOYSA-N
MW346.45 g/mol
LogP6.16
Rot. Bonds4

About 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene

2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene (PubChem CID 14147526) has the molecular formula C22H18O2S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene
PubChem CID14147526
Molecular FormulaC22H18O2S
Molecular Weight346.45 g/mol
Exact Mass346.10
IUPAC Name2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene
SMILESCOc1ccc2ccccc2c1Sc1c(OC)ccc2ccccc12
InChIInChI=1S/C22H18O2S/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)25-22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3
InChIKeyDZYCPGDDKZKARX-UHFFFAOYSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene?
The IUPAC name of 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene (CID 14147526) is 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene.
What is the SMILES notation for 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene?
The canonical SMILES for 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene is COc1ccc2ccccc2c1Sc1c(OC)ccc2ccccc12.
What is the InChIKey of 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene?
The InChIKey is DZYCPGDDKZKARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2S/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)25-22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3.
What are the key properties of 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene?
2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene has a molecular weight of 346.45 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxynaphthalen-1-yl)sulfanylnaphthalene is sourced from PubChem (CID 14147526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).