6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene

C21H22 — CID 158506002

IUPAC6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene
SMILESCCc1cccc2cc(Cc3cc(C)cc(C)c3)ccc12
InChIInChI=1S/C21H22/c1-4-19-6-5-7-20-14-17(8-9-21(19)20)13-18-11-15(2)10-16(3)12-18/h5-12,14H,4,13H2,1-3H3
InChIKeyDMKYXJZOEUMYFB-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.61
Rot. Bonds3

About 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene

6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene (PubChem CID 158506002) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene.

Molecular Properties

Compound Name6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene
PubChem CID158506002
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene
SMILESCCc1cccc2cc(Cc3cc(C)cc(C)c3)ccc12
InChIInChI=1S/C21H22/c1-4-19-6-5-7-20-14-17(8-9-21(19)20)13-18-11-15(2)10-16(3)12-18/h5-12,14H,4,13H2,1-3H3
InChIKeyDMKYXJZOEUMYFB-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene?
The IUPAC name of 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene (CID 158506002) is 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene.
What is the SMILES notation for 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene?
The canonical SMILES for 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene is CCc1cccc2cc(Cc3cc(C)cc(C)c3)ccc12.
What is the InChIKey of 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene?
The InChIKey is DMKYXJZOEUMYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-4-19-6-5-7-20-14-17(8-9-21(19)20)13-18-11-15(2)10-16(3)12-18/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene?
6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene has a molecular weight of 274.41 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene is sourced from PubChem (CID 158506002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).