2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene

C18H16 — CID 20700482

IUPAC2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene
SMILESCC1Cc2c(c3ccccc3c3ccccc23)C1
InChIInChI=1S/C18H16/c1-12-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18(17)11-12/h2-9,12H,10-11H2,1H3
InChIKeyQGVOCDAZJYWWJI-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.73
Rot. Bonds

About 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene

2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene (PubChem CID 20700482) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene
PubChem CID20700482
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene
SMILESCC1Cc2c(c3ccccc3c3ccccc23)C1
InChIInChI=1S/C18H16/c1-12-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18(17)11-12/h2-9,12H,10-11H2,1H3
InChIKeyQGVOCDAZJYWWJI-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene?
The IUPAC name of 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene (CID 20700482) is 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene.
What is the SMILES notation for 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene?
The canonical SMILES for 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene is CC1Cc2c(c3ccccc3c3ccccc23)C1.
What is the InChIKey of 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene?
The InChIKey is QGVOCDAZJYWWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-12-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18(17)11-12/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene?
2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene has a molecular weight of 232.33 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene is sourced from PubChem (CID 20700482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).