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

C18H16O — CID 134959315

IUPAC2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene
SMILESCOC1Cc2c(c3ccccc3c3ccccc23)C1
InChIInChI=1S/C18H16O/c1-19-12-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18(17)11-12/h2-9,12H,10-11H2,1H3
InChIKeyBINMSHSLEFQFKU-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.11
Rot. Bonds1

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

2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene (PubChem CID 134959315) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene.

Molecular Properties

Compound Name2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene
PubChem CID134959315
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene
SMILESCOC1Cc2c(c3ccccc3c3ccccc23)C1
InChIInChI=1S/C18H16O/c1-19-12-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18(17)11-12/h2-9,12H,10-11H2,1H3
InChIKeyBINMSHSLEFQFKU-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene?
The IUPAC name of 2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene (CID 134959315) is 2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene.
What is the SMILES notation for 2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene?
The canonical SMILES for 2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene is COC1Cc2c(c3ccccc3c3ccccc23)C1.
What is the InChIKey of 2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene?
The InChIKey is BINMSHSLEFQFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-19-12-10-17-15-8-4-2-6-13(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-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene?
2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene has a molecular weight of 248.33 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3-dihydro-1H-cyclopenta[l]phenanthrene is sourced from PubChem (CID 134959315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).