1,3,7-trimethyl-2-(4-methylphenyl)naphthalene

C20H20 — CID 15440757

IUPAC1,3,7-trimethyl-2-(4-methylphenyl)naphthalene
SMILESCc1ccc(-c2c(C)cc3ccc(C)cc3c2C)cc1
InChIInChI=1S/C20H20/c1-13-5-8-17(9-6-13)20-15(3)12-18-10-7-14(2)11-19(18)16(20)4/h5-12H,1-4H3
InChIKeyAJMYEHVCGAHKDZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.74
Rot. Bonds1

About 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene

1,3,7-trimethyl-2-(4-methylphenyl)naphthalene (PubChem CID 15440757) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene.

Molecular Properties

Compound Name1,3,7-trimethyl-2-(4-methylphenyl)naphthalene
PubChem CID15440757
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1,3,7-trimethyl-2-(4-methylphenyl)naphthalene
SMILESCc1ccc(-c2c(C)cc3ccc(C)cc3c2C)cc1
InChIInChI=1S/C20H20/c1-13-5-8-17(9-6-13)20-15(3)12-18-10-7-14(2)11-19(18)16(20)4/h5-12H,1-4H3
InChIKeyAJMYEHVCGAHKDZ-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,5-tetramethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 144579538
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
2-bromo-6,9,13-trimethyl-7,14-diphenylnaphtho[1,2-b]phenanthrene
CID 118312628
2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene
CID 162426469
2,7-dimethylphenanthrene;ethane
CID 91503011
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
1,3-dimethyl-7-(4-methylphenyl)naphthalene
CID 160612509
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
4,6-dimethylnaphthalen-2-ol
CID 56931272
2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol
CID 158189800
9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;2,6-dimethyl-9-(4-methylphenyl)anthracene;2,3,6,7-tetramethyl-9-(4-methylphenyl)anthracene;2,3,6,7-tetramethyl-9-(4-methylphenyl)-10-phenylanthracene
CID 158093460
1,7-dimethylnaphthalene-2-sulfonic acid
CID 101323785

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene?
The IUPAC name of 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene (CID 15440757) is 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene.
What is the SMILES notation for 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene?
The canonical SMILES for 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene is Cc1ccc(-c2c(C)cc3ccc(C)cc3c2C)cc1.
What is the InChIKey of 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene?
The InChIKey is AJMYEHVCGAHKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-13-5-8-17(9-6-13)20-15(3)12-18-10-7-14(2)11-19(18)16(20)4/h5-12H,1-4H3.
What are the key properties of 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene?
1,3,7-trimethyl-2-(4-methylphenyl)naphthalene has a molecular weight of 260.38 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-2-(4-methylphenyl)naphthalene is sourced from PubChem (CID 15440757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).