4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene

C21H28 — CID 147875383

IUPAC4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene
SMILESCc1ccc2ccc(C)c3c2c1C(C(C)C)CC3C(C)C
InChIInChI=1S/C21H28/c1-12(2)17-11-18(13(3)4)20-15(6)8-10-16-9-7-14(5)19(17)21(16)20/h7-10,12-13,17-18H,11H2,1-6H3
InChIKeyHZKSQOOJMXVMGY-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.34
Rot. Bonds2

About 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene

4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene (PubChem CID 147875383) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene.

Molecular Properties

Compound Name4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene
PubChem CID147875383
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene
SMILESCc1ccc2ccc(C)c3c2c1C(C(C)C)CC3C(C)C
InChIInChI=1S/C21H28/c1-12(2)17-11-18(13(3)4)20-15(6)8-10-16-9-7-14(5)19(17)21(16)20/h7-10,12-13,17-18H,11H2,1-6H3
InChIKeyHZKSQOOJMXVMGY-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene
CID 159807996
1,3-bis(4-chlorophenyl)-4,9-dimethyl-2,3-dihydro-1H-phenalene
CID 159194653
8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 12778774
2,5-dimethyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 43537284
(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol
CID 11461177
1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene
CID 143021438
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417791
4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 64686783
5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione
CID 19785892
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
CID 107561849
(2R,3R)-2,3,8,9-tetramethyl-5,6-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzothiepine
CID 170522482
1-methyl-6-propan-2-ylpyrene
CID 144975111

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene?
The IUPAC name of 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene (CID 147875383) is 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene.
What is the SMILES notation for 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene?
The canonical SMILES for 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene is Cc1ccc2ccc(C)c3c2c1C(C(C)C)CC3C(C)C.
What is the InChIKey of 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene?
The InChIKey is HZKSQOOJMXVMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-12(2)17-11-18(13(3)4)20-15(6)8-10-16-9-7-14(5)19(17)21(16)20/h7-10,12-13,17-18H,11H2,1-6H3.
What are the key properties of 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene?
4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene has a molecular weight of 280.45 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene is sourced from PubChem (CID 147875383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).