1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene

C22H18 — CID 58049667

IUPAC1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
SMILESCc1cc(-c2cc(C)c3ccccc3c2)cc2ccccc12
InChIInChI=1S/C22H18/c1-15-11-19(13-17-7-3-5-9-21(15)17)20-12-16(2)22-10-6-4-8-18(22)14-20/h3-14H,1-2H3
InChIKeyZLJMWLYKBKFCFI-UHFFFAOYSA-N
MW282.39 g/mol
LogP6.28
Rot. Bonds1

About 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene

1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene (PubChem CID 58049667) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
PubChem CID58049667
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
SMILESCc1cc(-c2cc(C)c3ccccc3c2)cc2ccccc12
InChIInChI=1S/C22H18/c1-15-11-19(13-17-7-3-5-9-21(15)17)20-12-16(2)22-10-6-4-8-18(22)14-20/h3-14H,1-2H3
InChIKeyZLJMWLYKBKFCFI-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene?
The IUPAC name of 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene (CID 58049667) is 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene.
What is the SMILES notation for 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene?
The canonical SMILES for 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene is Cc1cc(-c2cc(C)c3ccccc3c2)cc2ccccc12.
What is the InChIKey of 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene?
The InChIKey is ZLJMWLYKBKFCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-15-11-19(13-17-7-3-5-9-21(15)17)20-12-16(2)22-10-6-4-8-18(22)14-20/h3-14H,1-2H3.
What are the key properties of 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene?
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene has a molecular weight of 282.39 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene is sourced from PubChem (CID 58049667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).