1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene

C24H22O — CID 20767474

IUPAC1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene
SMILESCc1cccc2cc(Oc3ccc(C)c4c(C)cccc34)cc(C)c12
InChIInChI=1S/C24H22O/c1-15-7-5-9-19-14-20(13-18(4)23(15)19)25-22-12-11-17(3)24-16(2)8-6-10-21(22)24/h5-14H,1-4H3
InChIKeyPBFSLPFHCZBAOU-UHFFFAOYSA-N
MW326.44 g/mol
LogP7.02
Rot. Bonds2

About 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene

1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene (PubChem CID 20767474) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene.

Molecular Properties

Compound Name1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene
PubChem CID20767474
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene
SMILESCc1cccc2cc(Oc3ccc(C)c4c(C)cccc34)cc(C)c12
InChIInChI=1S/C24H22O/c1-15-7-5-9-19-14-20(13-18(4)23(15)19)25-22-12-11-17(3)24-16(2)8-6-10-21(22)24/h5-14H,1-4H3
InChIKeyPBFSLPFHCZBAOU-UHFFFAOYSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene?
The IUPAC name of 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene (CID 20767474) is 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene.
What is the SMILES notation for 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene?
The canonical SMILES for 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene is Cc1cccc2cc(Oc3ccc(C)c4c(C)cccc34)cc(C)c12.
What is the InChIKey of 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene?
The InChIKey is PBFSLPFHCZBAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O/c1-15-7-5-9-19-14-20(13-18(4)23(15)19)25-22-12-11-17(3)24-16(2)8-6-10-21(22)24/h5-14H,1-4H3.
What are the key properties of 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene?
1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene has a molecular weight of 326.44 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylnaphthalen-2-yl)oxy-4,5-dimethylnaphthalene is sourced from PubChem (CID 20767474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).