1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene

C22H18O3 — CID 21195641

IUPAC1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
SMILESCOc1cc(Oc2cc(OC)c3ccccc3c2)cc2ccccc12
InChIInChI=1S/C22H18O3/c1-23-21-13-17(11-15-7-3-5-9-19(15)21)25-18-12-16-8-4-6-10-20(16)22(14-18)24-2/h3-14H,1-2H3
InChIKeySVIMRHCHFIRXBY-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.80
Rot. Bonds4

About 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene

1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene (PubChem CID 21195641) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene.

Molecular Properties

Compound Name1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
PubChem CID21195641
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
SMILESCOc1cc(Oc2cc(OC)c3ccccc3c2)cc2ccccc12
InChIInChI=1S/C22H18O3/c1-23-21-13-17(11-15-7-3-5-9-19(15)21)25-18-12-16-8-4-6-10-20(16)22(14-18)24-2/h3-14H,1-2H3
InChIKeySVIMRHCHFIRXBY-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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene?
The IUPAC name of 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene (CID 21195641) is 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene.
What is the SMILES notation for 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene?
The canonical SMILES for 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene is COc1cc(Oc2cc(OC)c3ccccc3c2)cc2ccccc12.
What is the InChIKey of 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene?
The InChIKey is SVIMRHCHFIRXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-23-21-13-17(11-15-7-3-5-9-19(15)21)25-18-12-16-8-4-6-10-20(16)22(14-18)24-2/h3-14H,1-2H3.
What are the key properties of 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene?
1-methoxy-3-(4-methoxynaphthalen-2-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 1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene is sourced from PubChem (CID 21195641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).