2-methyl-1H-phenalene

C14H12 — CID 71398400

IUPAC2-methyl-1H-phenalene
SMILESCC1=Cc2cccc3cccc(c23)C1
InChIInChI=1S/C14H12/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h2-8H,9H2,1H3
InChIKeyIFARIKUOUNGMRB-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.80
Rot. Bonds

About 2-methyl-1H-phenalene

2-methyl-1H-phenalene (PubChem CID 71398400) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-1H-phenalene.

Molecular Properties

Compound Name2-methyl-1H-phenalene
PubChem CID71398400
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name2-methyl-1H-phenalene
SMILESCC1=Cc2cccc3cccc(c23)C1
InChIInChI=1S/C14H12/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h2-8H,9H2,1H3
InChIKeyIFARIKUOUNGMRB-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-phenalene?
The IUPAC name of 2-methyl-1H-phenalene (CID 71398400) is 2-methyl-1H-phenalene.
What is the SMILES notation for 2-methyl-1H-phenalene?
The canonical SMILES for 2-methyl-1H-phenalene is CC1=Cc2cccc3cccc(c23)C1.
What is the InChIKey of 2-methyl-1H-phenalene?
The InChIKey is IFARIKUOUNGMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-1H-phenalene?
2-methyl-1H-phenalene has a molecular weight of 180.25 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-phenalene is sourced from PubChem (CID 71398400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).