1-ethyl-3-propan-2-ylanthracene

C19H20 — CID 140601702

IUPAC1-ethyl-3-propan-2-ylanthracene
SMILESCCc1cc(C(C)C)cc2cc3ccccc3cc12
InChIInChI=1S/C19H20/c1-4-14-9-17(13(2)3)11-18-10-15-7-5-6-8-16(15)12-19(14)18/h5-13H,4H2,1-3H3
InChIKeyQZTLWEJEYYDVKX-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.68
Rot. Bonds2

About 1-ethyl-3-propan-2-ylanthracene

1-ethyl-3-propan-2-ylanthracene (PubChem CID 140601702) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-ylanthracene.

Molecular Properties

Compound Name1-ethyl-3-propan-2-ylanthracene
PubChem CID140601702
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-ethyl-3-propan-2-ylanthracene
SMILESCCc1cc(C(C)C)cc2cc3ccccc3cc12
InChIInChI=1S/C19H20/c1-4-14-9-17(13(2)3)11-18-10-15-7-5-6-8-16(15)12-19(14)18/h5-13H,4H2,1-3H3
InChIKeyQZTLWEJEYYDVKX-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.68
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

2-propan-2-ylpentacene
CID 153380535
1-ethylanthracene;formic acid
CID 175485335
ethane;2-propan-2-ylnaphthalene
CID 142226111
N-[(3-propan-2-ylnaphthalen-1-yl)methyl]acetamide
CID 134204218
1,2-diethylanthracene
CID 19372429
anthracene;2-methylpropane
CID 142471530
2-ethylanthracen-1-amine
CID 23131273
10-ethylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 90794519
(2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate
CID 67424979
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
triethoxy(1-naphthalen-2-ylethyl)silane
CID 18795115
1,2,3,4-tetrakis(4-propan-2-ylphenyl)anthracene
CID 174880220

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-ylanthracene?
The IUPAC name of 1-ethyl-3-propan-2-ylanthracene (CID 140601702) is 1-ethyl-3-propan-2-ylanthracene.
What is the SMILES notation for 1-ethyl-3-propan-2-ylanthracene?
The canonical SMILES for 1-ethyl-3-propan-2-ylanthracene is CCc1cc(C(C)C)cc2cc3ccccc3cc12.
What is the InChIKey of 1-ethyl-3-propan-2-ylanthracene?
The InChIKey is QZTLWEJEYYDVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-4-14-9-17(13(2)3)11-18-10-15-7-5-6-8-16(15)12-19(14)18/h5-13H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-ylanthracene?
1-ethyl-3-propan-2-ylanthracene has a molecular weight of 248.37 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-ylanthracene is sourced from PubChem (CID 140601702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).