2-cyclopropylanthracene

C17H14 — CID 91468721

IUPAC2-cyclopropylanthracene
SMILESc1ccc2cc3cc(C4CC4)ccc3cc2c1
InChIInChI=1S/C17H14/c1-2-4-14-10-17-11-15(12-5-6-12)7-8-16(17)9-13(14)3-1/h1-4,7-12H,5-6H2
InChIKeyUSBQDLPRTRCSNG-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.87
Rot. Bonds1

About 2-cyclopropylanthracene

2-cyclopropylanthracene (PubChem CID 91468721) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclopropylanthracene.

Molecular Properties

Compound Name2-cyclopropylanthracene
PubChem CID91468721
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name2-cyclopropylanthracene
SMILESc1ccc2cc3cc(C4CC4)ccc3cc2c1
InChIInChI=1S/C17H14/c1-2-4-14-10-17-11-15(12-5-6-12)7-8-16(17)9-13(14)3-1/h1-4,7-12H,5-6H2
InChIKeyUSBQDLPRTRCSNG-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.87
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylanthracene?
The IUPAC name of 2-cyclopropylanthracene (CID 91468721) is 2-cyclopropylanthracene.
What is the SMILES notation for 2-cyclopropylanthracene?
The canonical SMILES for 2-cyclopropylanthracene is c1ccc2cc3cc(C4CC4)ccc3cc2c1.
What is the InChIKey of 2-cyclopropylanthracene?
The InChIKey is USBQDLPRTRCSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-2-4-14-10-17-11-15(12-5-6-12)7-8-16(17)9-13(14)3-1/h1-4,7-12H,5-6H2.
What are the key properties of 2-cyclopropylanthracene?
2-cyclopropylanthracene has a molecular weight of 218.30 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylanthracene is sourced from PubChem (CID 91468721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).