1-(dichloromethylidene)-2H-anthracene

C15H10Cl2 — CID 141398318

IUPAC1-(dichloromethylidene)-2H-anthracene
SMILESClC(Cl)=C1CC=Cc2cc3ccccc3cc21
InChIInChI=1S/C15H10Cl2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-6,8-9H,7H2
InChIKeyXCOSUHBEQBBVIY-UHFFFAOYSA-N
MW261.15 g/mol
LogP5.40
Rot. Bonds

About 1-(dichloromethylidene)-2H-anthracene

1-(dichloromethylidene)-2H-anthracene (PubChem CID 141398318) has the molecular formula C15H10Cl2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-(dichloromethylidene)-2H-anthracene.

Molecular Properties

Compound Name1-(dichloromethylidene)-2H-anthracene
PubChem CID141398318
Molecular FormulaC15H10Cl2
Molecular Weight261.15 g/mol
Exact Mass260.02
IUPAC Name1-(dichloromethylidene)-2H-anthracene
SMILESClC(Cl)=C1CC=Cc2cc3ccccc3cc21
InChIInChI=1S/C15H10Cl2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-6,8-9H,7H2
InChIKeyXCOSUHBEQBBVIY-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.15
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethylidene)-2H-anthracene?
The IUPAC name of 1-(dichloromethylidene)-2H-anthracene (CID 141398318) is 1-(dichloromethylidene)-2H-anthracene.
What is the SMILES notation for 1-(dichloromethylidene)-2H-anthracene?
The canonical SMILES for 1-(dichloromethylidene)-2H-anthracene is ClC(Cl)=C1CC=Cc2cc3ccccc3cc21.
What is the InChIKey of 1-(dichloromethylidene)-2H-anthracene?
The InChIKey is XCOSUHBEQBBVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-6,8-9H,7H2.
What are the key properties of 1-(dichloromethylidene)-2H-anthracene?
1-(dichloromethylidene)-2H-anthracene has a molecular weight of 261.15 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethylidene)-2H-anthracene is sourced from PubChem (CID 141398318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).