1-methyl-5-[(4-methylphenyl)methyl]naphthalene

C19H18 — CID 18684384

IUPAC1-methyl-5-[(4-methylphenyl)methyl]naphthalene
SMILESCc1ccc(Cc2cccc3c(C)cccc23)cc1
InChIInChI=1S/C19H18/c1-14-9-11-16(12-10-14)13-17-6-4-7-18-15(2)5-3-8-19(17)18/h3-12H,13H2,1-2H3
InChIKeyRGRPATBZLMTPIB-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.05
Rot. Bonds2

About 1-methyl-5-[(4-methylphenyl)methyl]naphthalene

1-methyl-5-[(4-methylphenyl)methyl]naphthalene (PubChem CID 18684384) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-methyl-5-[(4-methylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-methyl-5-[(4-methylphenyl)methyl]naphthalene
PubChem CID18684384
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name1-methyl-5-[(4-methylphenyl)methyl]naphthalene
SMILESCc1ccc(Cc2cccc3c(C)cccc23)cc1
InChIInChI=1S/C19H18/c1-14-9-11-16(12-10-14)13-17-6-4-7-18-15(2)5-3-8-19(17)18/h3-12H,13H2,1-2H3
InChIKeyRGRPATBZLMTPIB-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(bromomethyl)-5-methylnaphthalene
CID 15657418
1,5-dimethylnaphthalene
CID 162159355
1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
CID 123365008
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
1,3-ditert-butylbenzene;1,5-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(4-methylphenyl)methyl]benzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
CID 159528182
1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene
CID 67814336
1-(5-methylnaphthalen-1-yl)propan-2-one
CID 59096635
1,4-bis(4-methylphenyl)benzene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 158604193
1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene
CID 142960457
1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
CID 160837559
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
CID 123254467
1-benzylnaphthalene;N-methylmethanamine
CID 70612820

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-methylphenyl)methyl]naphthalene?
The IUPAC name of 1-methyl-5-[(4-methylphenyl)methyl]naphthalene (CID 18684384) is 1-methyl-5-[(4-methylphenyl)methyl]naphthalene.
What is the SMILES notation for 1-methyl-5-[(4-methylphenyl)methyl]naphthalene?
The canonical SMILES for 1-methyl-5-[(4-methylphenyl)methyl]naphthalene is Cc1ccc(Cc2cccc3c(C)cccc23)cc1.
What is the InChIKey of 1-methyl-5-[(4-methylphenyl)methyl]naphthalene?
The InChIKey is RGRPATBZLMTPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-14-9-11-16(12-10-14)13-17-6-4-7-18-15(2)5-3-8-19(17)18/h3-12H,13H2,1-2H3.
What are the key properties of 1-methyl-5-[(4-methylphenyl)methyl]naphthalene?
1-methyl-5-[(4-methylphenyl)methyl]naphthalene has a molecular weight of 246.35 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-methylphenyl)methyl]naphthalene is sourced from PubChem (CID 18684384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).