2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene

C21H22 — CID 159571856

IUPAC2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene
SMILESCCc1cc2ccccc2cc1Cc1cc(C)cc(C)c1
InChIInChI=1S/C21H22/c1-4-18-13-19-7-5-6-8-20(19)14-21(18)12-17-10-15(2)9-16(3)11-17/h5-11,13-14H,4,12H2,1-3H3
InChIKeyXWWOMHKXWRVDBK-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.61
Rot. Bonds3

About 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene

2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene (PubChem CID 159571856) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene
PubChem CID159571856
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene
SMILESCCc1cc2ccccc2cc1Cc1cc(C)cc(C)c1
InChIInChI=1S/C21H22/c1-4-18-13-19-7-5-6-8-20(19)14-21(18)12-17-10-15(2)9-16(3)11-17/h5-11,13-14H,4,12H2,1-3H3
InChIKeyXWWOMHKXWRVDBK-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 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene (CID 159571856) is 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene is CCc1cc2ccccc2cc1Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene?
The InChIKey is XWWOMHKXWRVDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-4-18-13-19-7-5-6-8-20(19)14-21(18)12-17-10-15(2)9-16(3)11-17/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene?
2-[(3,5-dimethylphenyl)methyl]-3-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 2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene is sourced from PubChem (CID 159571856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).