2,7-dimethyl-1H-phenalene

C15H14 — CID 134993724

IUPAC2,7-dimethyl-1H-phenalene
SMILESCC1=Cc2cccc3c(C)ccc(c23)C1
InChIInChI=1S/C15H14/c1-10-8-12-4-3-5-14-11(2)6-7-13(9-10)15(12)14/h3-8H,9H2,1-2H3
InChIKeyRHSOSKVSRFQIBW-UHFFFAOYSA-N
MW194.28 g/mol
LogP4.11
Rot. Bonds

About 2,7-dimethyl-1H-phenalene

2,7-dimethyl-1H-phenalene (PubChem CID 134993724) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,7-dimethyl-1H-phenalene.

Molecular Properties

Compound Name2,7-dimethyl-1H-phenalene
PubChem CID134993724
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Name2,7-dimethyl-1H-phenalene
SMILESCC1=Cc2cccc3c(C)ccc(c23)C1
InChIInChI=1S/C15H14/c1-10-8-12-4-3-5-14-11(2)6-7-13(9-10)15(12)14/h3-8H,9H2,1-2H3
InChIKeyRHSOSKVSRFQIBW-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1H-phenalene?
The IUPAC name of 2,7-dimethyl-1H-phenalene (CID 134993724) is 2,7-dimethyl-1H-phenalene.
What is the SMILES notation for 2,7-dimethyl-1H-phenalene?
The canonical SMILES for 2,7-dimethyl-1H-phenalene is CC1=Cc2cccc3c(C)ccc(c23)C1.
What is the InChIKey of 2,7-dimethyl-1H-phenalene?
The InChIKey is RHSOSKVSRFQIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14/c1-10-8-12-4-3-5-14-11(2)6-7-13(9-10)15(12)14/h3-8H,9H2,1-2H3.
What are the key properties of 2,7-dimethyl-1H-phenalene?
2,7-dimethyl-1H-phenalene has a molecular weight of 194.28 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1H-phenalene is sourced from PubChem (CID 134993724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).