3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene

C22H18O3 — CID 138737035

IUPAC3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
SMILESCOc1cc(Oc2cc(OC)cc3ccccc23)c2ccccc2c1
InChIInChI=1S/C22H18O3/c1-23-17-11-15-7-3-5-9-19(15)21(13-17)25-22-14-18(24-2)12-16-8-4-6-10-20(16)22/h3-14H,1-2H3
InChIKeyNAUAJPPTUBLKDE-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.80
Rot. Bonds4

About 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene

3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene (PubChem CID 138737035) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
PubChem CID138737035
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
SMILESCOc1cc(Oc2cc(OC)cc3ccccc23)c2ccccc2c1
InChIInChI=1S/C22H18O3/c1-23-17-11-15-7-3-5-9-19(15)21(13-17)25-22-14-18(24-2)12-16-8-4-6-10-20(16)22/h3-14H,1-2H3
InChIKeyNAUAJPPTUBLKDE-UHFFFAOYSA-N
XLogP5.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,4,6-trimethoxyphenyl)naphthalene
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4-[4-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253700
3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
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3-methoxynaphthalen-1-ol;(3-methoxynaphthalen-1-yl) trifluoromethanesulfonate
CID 159883888
(1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane
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1,3,7-trimethoxynaphthalene
CID 102088907
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene?
The IUPAC name of 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene (CID 138737035) is 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene.
What is the SMILES notation for 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene?
The canonical SMILES for 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene is COc1cc(Oc2cc(OC)cc3ccccc23)c2ccccc2c1.
What is the InChIKey of 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene?
The InChIKey is NAUAJPPTUBLKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-23-17-11-15-7-3-5-9-19(15)21(13-17)25-22-14-18(24-2)12-16-8-4-6-10-20(16)22/h3-14H,1-2H3.
What are the key properties of 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene?
3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene has a molecular weight of 330.38 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene is sourced from PubChem (CID 138737035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).