1-chloro-1H-phenalene

C13H9Cl — CID 118456888

IUPAC1-chloro-1H-phenalene
SMILESClC1C=Cc2cccc3cccc1c23
InChIInChI=1S/C13H9Cl/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8,12H
InChIKeyGHEXKNAXILJSDZ-UHFFFAOYSA-N
MW200.67 g/mol
LogP4.15
Rot. Bonds

About 1-chloro-1H-phenalene

1-chloro-1H-phenalene (PubChem CID 118456888) has the molecular formula C13H9Cl and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-chloro-1H-phenalene.

Molecular Properties

Compound Name1-chloro-1H-phenalene
PubChem CID118456888
Molecular FormulaC13H9Cl
Molecular Weight200.67 g/mol
Exact Mass200.04
IUPAC Name1-chloro-1H-phenalene
SMILESClC1C=Cc2cccc3cccc1c23
InChIInChI=1S/C13H9Cl/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8,12H
InChIKeyGHEXKNAXILJSDZ-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-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

N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
1-chloro-1H-indene;titanium;dihydrochloride
CID 174637282
CID 174146075
CID 174146075
CID 175041145
CID 175041145
cyclohexa-2,5-diene-1,4-dione;1H-phenalen-1-ol
CID 175310515
2-(1H-phenalen-1-yl)propanedial
CID 174396888
3,3-bis(1H-phenalen-1-yl)oxathiirane
CID 174584708
[chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite
CID 175294006
1-pentyl-1H-phenalene
CID 70319795
3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide
CID 155317049
1-(1-phenylethenyl)-1H-phenalene
CID 174392625
3,4-dimethyl-1-(1H-phenalen-1-yl)-2,5-dihydro-1λ5-phosphole 1-oxide
CID 155317031

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1H-phenalene?
The IUPAC name of 1-chloro-1H-phenalene (CID 118456888) is 1-chloro-1H-phenalene.
What is the SMILES notation for 1-chloro-1H-phenalene?
The canonical SMILES for 1-chloro-1H-phenalene is ClC1C=Cc2cccc3cccc1c23.
What is the InChIKey of 1-chloro-1H-phenalene?
The InChIKey is GHEXKNAXILJSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8,12H.
What are the key properties of 1-chloro-1H-phenalene?
1-chloro-1H-phenalene has a molecular weight of 200.67 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1H-phenalene is sourced from PubChem (CID 118456888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).