1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene

C22H18O2S — CID 14147524

IUPAC1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
SMILESCOc1ccc(Sc2ccc(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C22H18O2S/c1-23-19-11-13-21(17-9-5-3-7-15(17)19)25-22-14-12-20(24-2)16-8-4-6-10-18(16)22/h3-14H,1-2H3
InChIKeyDAZZCCBYLXWHSD-UHFFFAOYSA-N
MW346.45 g/mol
LogP6.16
Rot. Bonds4

About 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene

1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene (PubChem CID 14147524) has the molecular formula C22H18O2S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
PubChem CID14147524
Molecular FormulaC22H18O2S
Molecular Weight346.45 g/mol
Exact Mass346.10
IUPAC Name1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
SMILESCOc1ccc(Sc2ccc(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C22H18O2S/c1-23-19-11-13-21(17-9-5-3-7-15(17)19)25-22-14-12-20(24-2)16-8-4-6-10-18(16)22/h3-14H,1-2H3
InChIKeyDAZZCCBYLXWHSD-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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Related Compounds

1-dodecylsulfanyl-4-methoxynaphthalene
CID 71335030
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1-chloro-4-methoxynaphthalene
CID 606038
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
(4-methoxynaphthalen-1-yl) 2-methylpropanoate
CID 142734241
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene?
The IUPAC name of 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene (CID 14147524) is 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene.
What is the SMILES notation for 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene?
The canonical SMILES for 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene is COc1ccc(Sc2ccc(OC)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene?
The InChIKey is DAZZCCBYLXWHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2S/c1-23-19-11-13-21(17-9-5-3-7-15(17)19)25-22-14-12-20(24-2)16-8-4-6-10-18(16)22/h3-14H,1-2H3.
What are the key properties of 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene?
1-methoxy-4-(4-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 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene is sourced from PubChem (CID 14147524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).