ethane;1-methyl-4-propan-2-ylanthracene

C20H24 — CID 144783014

IUPACethane;1-methyl-4-propan-2-ylanthracene
SMILESCC.Cc1ccc(C(C)C)c2cc3ccccc3cc12
InChIInChI=1S/C18H18.C2H6/c1-12(2)16-9-8-13(3)17-10-14-6-4-5-7-15(14)11-18(16)17;1-2/h4-12H,1-3H3;1-2H3
InChIKeyXPDLBRUMOLVGLT-UHFFFAOYSA-N
MW264.41 g/mol
LogP6.45
Rot. Bonds1

About ethane;1-methyl-4-propan-2-ylanthracene

ethane;1-methyl-4-propan-2-ylanthracene (PubChem CID 144783014) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-ylanthracene.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-ylanthracene
PubChem CID144783014
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Nameethane;1-methyl-4-propan-2-ylanthracene
SMILESCC.Cc1ccc(C(C)C)c2cc3ccccc3cc12
InChIInChI=1S/C18H18.C2H6/c1-12(2)16-9-8-13(3)17-10-14-6-4-5-7-15(14)11-18(16)17;1-2/h4-12H,1-3H3;1-2H3
InChIKeyXPDLBRUMOLVGLT-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,6-dimethyl-4-propan-2-ylnaphthalene
CID 10225
6-propan-2-ylbenzo[a]anthracene
CID 90474215
methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene
CID 157266491
1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
CID 163194899
1-methyl-6-propan-2-ylpyrene
CID 144975111
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
2-chloro-3-propan-2-ylnaphthalene
CID 122693592
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
6,13-dimethylpentacene;ethane
CID 123724624
1,4-dimethylanthracene;2,6-dimethylanthracene;9,10-dimethylanthracene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene;ethane
CID 161265902
3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
7-methyl-1-propan-2-ylanthracene
CID 144739282

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-ylanthracene?
The IUPAC name of ethane;1-methyl-4-propan-2-ylanthracene (CID 144783014) is ethane;1-methyl-4-propan-2-ylanthracene.
What is the SMILES notation for ethane;1-methyl-4-propan-2-ylanthracene?
The canonical SMILES for ethane;1-methyl-4-propan-2-ylanthracene is CC.Cc1ccc(C(C)C)c2cc3ccccc3cc12.
What is the InChIKey of ethane;1-methyl-4-propan-2-ylanthracene?
The InChIKey is XPDLBRUMOLVGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.C2H6/c1-12(2)16-9-8-13(3)17-10-14-6-4-5-7-15(14)11-18(16)17;1-2/h4-12H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-ylanthracene?
ethane;1-methyl-4-propan-2-ylanthracene has a molecular weight of 264.41 g/mol, XLogP of 6.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-ylanthracene is sourced from PubChem (CID 144783014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).