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

C23H20 — CID 54470765

IUPAC1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
SMILESCc1cc(Cc2cc(C)c3ccccc3c2)cc2ccccc12
InChIInChI=1S/C23H20/c1-16-11-18(14-20-7-3-5-9-22(16)20)13-19-12-17(2)23-10-6-4-8-21(23)15-19/h3-12,14-15H,13H2,1-2H3
InChIKeyXIESAXQLQJINGH-UHFFFAOYSA-N
MW296.41 g/mol
LogP6.20
Rot. Bonds2

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

1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene (PubChem CID 54470765) has the molecular formula C23H20 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene.

Molecular Properties

Compound Name1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
PubChem CID54470765
Molecular FormulaC23H20
Molecular Weight296.41 g/mol
Exact Mass296.16
IUPAC Name1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
SMILESCc1cc(Cc2cc(C)c3ccccc3c2)cc2ccccc12
InChIInChI=1S/C23H20/c1-16-11-18(14-20-7-3-5-9-22(16)20)13-19-12-17(2)23-10-6-4-8-21(23)15-19/h3-12,14-15H,13H2,1-2H3
InChIKeyXIESAXQLQJINGH-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;ethane;1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
CID 158460145
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
1,3-dimethylnaphthalene;ethane
CID 145447624
3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile
CID 10422595
3-iodo-1-methylnaphthalene
CID 11715949
3-bromo-1-methylnaphthalene
CID 18673607
ethane;4-methylnaphthalen-2-amine
CID 144829259
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
azane;1-benzyl-3-methylnaphthalene
CID 174691048
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091
3-(difluoromethyl)-1-methylnaphthalene
CID 118018854

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene?
The IUPAC name of 1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene (CID 54470765) is 1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene.
What is the SMILES notation for 1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene?
The canonical SMILES for 1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene is Cc1cc(Cc2cc(C)c3ccccc3c2)cc2ccccc12.
What is the InChIKey of 1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene?
The InChIKey is XIESAXQLQJINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20/c1-16-11-18(14-20-7-3-5-9-22(16)20)13-19-12-17(2)23-10-6-4-8-21(23)15-19/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene?
1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene has a molecular weight of 296.41 g/mol, XLogP of 6.20, 2 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)methyl]naphthalene is sourced from PubChem (CID 54470765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).