1-(2-chloroethenyl)-2-methyl-1H-phenalene

C16H13Cl — CID 173447029

IUPAC1-(2-chloroethenyl)-2-methyl-1H-phenalene
SMILESCC1=Cc2cccc3cccc(c23)C1C=CCl
InChIInChI=1S/C16H13Cl/c1-11-10-13-6-2-4-12-5-3-7-15(16(12)13)14(11)8-9-17/h2-10,14H,1H3
InChIKeyOXGSPWAVIDUHSN-UHFFFAOYSA-N
MW240.73 g/mol
LogP5.09
Rot. Bonds1

About 1-(2-chloroethenyl)-2-methyl-1H-phenalene

1-(2-chloroethenyl)-2-methyl-1H-phenalene (PubChem CID 173447029) has the molecular formula C16H13Cl and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(2-chloroethenyl)-2-methyl-1H-phenalene.

Molecular Properties

Compound Name1-(2-chloroethenyl)-2-methyl-1H-phenalene
PubChem CID173447029
Molecular FormulaC16H13Cl
Molecular Weight240.73 g/mol
Exact Mass240.07
IUPAC Name1-(2-chloroethenyl)-2-methyl-1H-phenalene
SMILESCC1=Cc2cccc3cccc(c23)C1C=CCl
InChIInChI=1S/C16H13Cl/c1-11-10-13-6-2-4-12-5-3-7-15(16(12)13)14(11)8-9-17/h2-10,14H,1H3
InChIKeyOXGSPWAVIDUHSN-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.73
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethenyl)-2-methyl-1H-phenalene?
The IUPAC name of 1-(2-chloroethenyl)-2-methyl-1H-phenalene (CID 173447029) is 1-(2-chloroethenyl)-2-methyl-1H-phenalene.
What is the SMILES notation for 1-(2-chloroethenyl)-2-methyl-1H-phenalene?
The canonical SMILES for 1-(2-chloroethenyl)-2-methyl-1H-phenalene is CC1=Cc2cccc3cccc(c23)C1C=CCl.
What is the InChIKey of 1-(2-chloroethenyl)-2-methyl-1H-phenalene?
The InChIKey is OXGSPWAVIDUHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl/c1-11-10-13-6-2-4-12-5-3-7-15(16(12)13)14(11)8-9-17/h2-10,14H,1H3.
What are the key properties of 1-(2-chloroethenyl)-2-methyl-1H-phenalene?
1-(2-chloroethenyl)-2-methyl-1H-phenalene has a molecular weight of 240.73 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethenyl)-2-methyl-1H-phenalene is sourced from PubChem (CID 173447029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).