1-pentyl-1H-phenalene

C18H20 — CID 70319795

IUPAC1-pentyl-1H-phenalene
SMILESCCCCCC1C=Cc2cccc3cccc1c23
InChIInChI=1S/C18H20/c1-2-3-4-7-14-12-13-16-9-5-8-15-10-6-11-17(14)18(15)16/h5-6,8-14H,2-4,7H2,1H3
InChIKeyWHOHQJIGXHPSNW-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.53
Rot. Bonds4

About 1-pentyl-1H-phenalene

1-pentyl-1H-phenalene (PubChem CID 70319795) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-pentyl-1H-phenalene.

Molecular Properties

Compound Name1-pentyl-1H-phenalene
PubChem CID70319795
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-pentyl-1H-phenalene
SMILESCCCCCC1C=Cc2cccc3cccc1c23
InChIInChI=1S/C18H20/c1-2-3-4-7-14-12-13-16-9-5-8-15-10-6-11-17(14)18(15)16/h5-6,8-14H,2-4,7H2,1H3
InChIKeyWHOHQJIGXHPSNW-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 162143943
CID 162143943
1-butyl-1H-indene;zirconium
CID 175289141
CID 175041145
CID 175041145
1-(2-phenylpropyl)-1H-phenalene
CID 175272524
2-[2,2-dimethyl-6-(1H-phenalen-1-yl)hexoxy]oxane
CID 175367647
N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide
CID 67376960
1-chloro-1H-phenalene
CID 118456888
CID 174146075
CID 174146075
N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
1-[2-(1H-inden-1-yl)ethyl]-1H-indene;propane;zirconium
CID 162275229
3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide
CID 155317049
cyclohexa-2,5-diene-1,4-dione;1H-phenalen-1-ol
CID 175310515

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-1H-phenalene?
The IUPAC name of 1-pentyl-1H-phenalene (CID 70319795) is 1-pentyl-1H-phenalene.
What is the SMILES notation for 1-pentyl-1H-phenalene?
The canonical SMILES for 1-pentyl-1H-phenalene is CCCCCC1C=Cc2cccc3cccc1c23.
What is the InChIKey of 1-pentyl-1H-phenalene?
The InChIKey is WHOHQJIGXHPSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-2-3-4-7-14-12-13-16-9-5-8-15-10-6-11-17(14)18(15)16/h5-6,8-14H,2-4,7H2,1H3.
What are the key properties of 1-pentyl-1H-phenalene?
1-pentyl-1H-phenalene has a molecular weight of 236.36 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-1H-phenalene is sourced from PubChem (CID 70319795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).