5,8-dimethyl-1H-phenalene

C15H14 — CID 158195355

IUPAC5,8-dimethyl-1H-phenalene
SMILESCc1cc2c3c(cc(C)cc3c1)CC=C2
InChIInChI=1S/C15H14/c1-10-6-12-4-3-5-13-7-11(2)9-14(8-10)15(12)13/h3-4,6-9H,5H2,1-2H3
InChIKeyYNRQEFRLHZGARD-UHFFFAOYSA-N
MW194.28 g/mol
LogP4.03
Rot. Bonds

About 5,8-dimethyl-1H-phenalene

5,8-dimethyl-1H-phenalene (PubChem CID 158195355) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5,8-dimethyl-1H-phenalene.

Molecular Properties

Compound Name5,8-dimethyl-1H-phenalene
PubChem CID158195355
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Name5,8-dimethyl-1H-phenalene
SMILESCc1cc2c3c(cc(C)cc3c1)CC=C2
InChIInChI=1S/C15H14/c1-10-6-12-4-3-5-13-7-11(2)9-14(8-10)15(12)13/h3-4,6-9H,5H2,1-2H3
InChIKeyYNRQEFRLHZGARD-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-1H-indene;propane
CID 91103814
benzene;1H-indene;naphthalene;toluene;1,3,5-trimethylbenzene;1,2-xylene
CID 159465264
heptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(28),2,4,6,8,11,13,15,17,19,21(25),23,26-tridecaene
CID 159780019
4H-phenalen-2-amine
CID 142737453
6-methoxy-2-methyl-9H-benzo[7]annulene
CID 118474873
1H-phenalene;hydrofluoride
CID 174317076
6-methyl-3H-inden-5-ol
CID 159911719
2,7-dimethyl-4,5-dihydropyrene;ethane
CID 91511464
2,5-dimethyl-1H-phenalene
CID 170980980
methyl 6H-phenalene-2-carboxylate
CID 142201169
cyclobutene;1H-phenalene
CID 175310152
benzene;1H-phenalene;sulfane
CID 174365170

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-1H-phenalene?
The IUPAC name of 5,8-dimethyl-1H-phenalene (CID 158195355) is 5,8-dimethyl-1H-phenalene.
What is the SMILES notation for 5,8-dimethyl-1H-phenalene?
The canonical SMILES for 5,8-dimethyl-1H-phenalene is Cc1cc2c3c(cc(C)cc3c1)CC=C2.
What is the InChIKey of 5,8-dimethyl-1H-phenalene?
The InChIKey is YNRQEFRLHZGARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14/c1-10-6-12-4-3-5-13-7-11(2)9-14(8-10)15(12)13/h3-4,6-9H,5H2,1-2H3.
What are the key properties of 5,8-dimethyl-1H-phenalene?
5,8-dimethyl-1H-phenalene has a molecular weight of 194.28 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-1H-phenalene is sourced from PubChem (CID 158195355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).