1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene

C19H20 — CID 23015278

IUPAC1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene
SMILESCC1=CC(C)C(c2ccc3ccccc3c2C)=C1C
InChIInChI=1S/C19H20/c1-12-11-13(2)19(14(12)3)18-10-9-16-7-5-6-8-17(16)15(18)4/h5-11,13H,1-4H3
InChIKeyHULOEWIKMXUMOL-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.52
Rot. Bonds1

About 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene

1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene (PubChem CID 23015278) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene.

Molecular Properties

Compound Name1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene
PubChem CID23015278
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene
SMILESCC1=CC(C)C(c2ccc3ccccc3c2C)=C1C
InChIInChI=1S/C19H20/c1-12-11-13(2)19(14(12)3)18-10-9-16-7-5-6-8-17(16)15(18)4/h5-11,13H,1-4H3
InChIKeyHULOEWIKMXUMOL-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
CID 90836351
diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane
CID 139996333
cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
CID 87493289
2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene
CID 123673434
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
3-ethyl-1-methyl-1H-cyclopenta[a]naphthalene
CID 141344332
N-tert-butyl-1-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanimine
CID 23015400
1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol;titanium(2+);dichloride
CID 87493937
2-(difluoromethyl)-1-methylnaphthalene;ethane
CID 142518689

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene?
The IUPAC name of 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene (CID 23015278) is 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene.
What is the SMILES notation for 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene?
The canonical SMILES for 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene is CC1=CC(C)C(c2ccc3ccccc3c2C)=C1C.
What is the InChIKey of 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene?
The InChIKey is HULOEWIKMXUMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-12-11-13(2)19(14(12)3)18-10-9-16-7-5-6-8-17(16)15(18)4/h5-11,13H,1-4H3.
What are the key properties of 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene?
1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene has a molecular weight of 248.37 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene is sourced from PubChem (CID 23015278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).