3-methyl-1,2-di(propan-2-yl)-1H-phenalene

C20H24 — CID 174578136

IUPAC3-methyl-1,2-di(propan-2-yl)-1H-phenalene
SMILESCC1=C(C(C)C)C(C(C)C)c2cccc3cccc1c23
InChIInChI=1S/C20H24/c1-12(2)18-14(5)16-10-6-8-15-9-7-11-17(20(15)16)19(18)13(3)4/h6-13,19H,1-5H3
InChIKeyNCSULFWZWJHTJI-UHFFFAOYSA-N
MW264.41 g/mol
LogP6.02
Rot. Bonds2

About 3-methyl-1,2-di(propan-2-yl)-1H-phenalene

3-methyl-1,2-di(propan-2-yl)-1H-phenalene (PubChem CID 174578136) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-methyl-1,2-di(propan-2-yl)-1H-phenalene.

Molecular Properties

Compound Name3-methyl-1,2-di(propan-2-yl)-1H-phenalene
PubChem CID174578136
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name3-methyl-1,2-di(propan-2-yl)-1H-phenalene
SMILESCC1=C(C(C)C)C(C(C)C)c2cccc3cccc1c23
InChIInChI=1S/C20H24/c1-12(2)18-14(5)16-10-6-8-15-9-7-11-17(20(15)16)19(18)13(3)4/h6-13,19H,1-5H3
InChIKeyNCSULFWZWJHTJI-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,12-dimethylpleiadene
CID 132501429
(4S)-4-[di(propan-2-yl)amino]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one
CID 1233909
1-N,2-N-bis[4-methyl-2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 102242944
2-amino-2H-acenaphthylen-1-one
CID 603051
(2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene
CID 95564432
1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]-1,2-dihydroacenaphthylene-1,2-diamine
CID 5254671
2,2-difluoro-1-propan-2-yl-1H-acenaphthylene
CID 166533770
(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one
CID 35581029
9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene
CID 157296228
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
3-methyltetracyclo[7.3.1.02,4.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 86129150
1-(2,3-dimethyl-1H-inden-1-yl)anthracene
CID 172691633

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-di(propan-2-yl)-1H-phenalene?
The IUPAC name of 3-methyl-1,2-di(propan-2-yl)-1H-phenalene (CID 174578136) is 3-methyl-1,2-di(propan-2-yl)-1H-phenalene.
What is the SMILES notation for 3-methyl-1,2-di(propan-2-yl)-1H-phenalene?
The canonical SMILES for 3-methyl-1,2-di(propan-2-yl)-1H-phenalene is CC1=C(C(C)C)C(C(C)C)c2cccc3cccc1c23.
What is the InChIKey of 3-methyl-1,2-di(propan-2-yl)-1H-phenalene?
The InChIKey is NCSULFWZWJHTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-12(2)18-14(5)16-10-6-8-15-9-7-11-17(20(15)16)19(18)13(3)4/h6-13,19H,1-5H3.
What are the key properties of 3-methyl-1,2-di(propan-2-yl)-1H-phenalene?
3-methyl-1,2-di(propan-2-yl)-1H-phenalene has a molecular weight of 264.41 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-di(propan-2-yl)-1H-phenalene is sourced from PubChem (CID 174578136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).