9,10-dichloro-1,2,3,4-tetramethylanthracene

C18H16Cl2 — CID 139963495

IUPAC9,10-dichloro-1,2,3,4-tetramethylanthracene
SMILESCc1c(C)c(C)c2c(Cl)c3ccccc3c(Cl)c2c1C
InChIInChI=1S/C18H16Cl2/c1-9-10(2)12(4)16-15(11(9)3)17(19)13-7-5-6-8-14(13)18(16)20/h5-8H,1-4H3
InChIKeyOVVJFUVSEPQPLY-UHFFFAOYSA-N
MW303.23 g/mol
LogP6.53
Rot. Bonds

About 9,10-dichloro-1,2,3,4-tetramethylanthracene

9,10-dichloro-1,2,3,4-tetramethylanthracene (PubChem CID 139963495) has the molecular formula C18H16Cl2 and a molecular weight of 303.23 g/mol. Its IUPAC name is 9,10-dichloro-1,2,3,4-tetramethylanthracene.

Molecular Properties

Compound Name9,10-dichloro-1,2,3,4-tetramethylanthracene
PubChem CID139963495
Molecular FormulaC18H16Cl2
Molecular Weight303.23 g/mol
Exact Mass302.06
IUPAC Name9,10-dichloro-1,2,3,4-tetramethylanthracene
SMILESCc1c(C)c(C)c2c(Cl)c3ccccc3c(Cl)c2c1C
InChIInChI=1S/C18H16Cl2/c1-9-10(2)12(4)16-15(11(9)3)17(19)13-7-5-6-8-14(13)18(16)20/h5-8H,1-4H3
InChIKeyOVVJFUVSEPQPLY-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.23
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dichloro-1,2,3,4-tetramethylanthracene?
The IUPAC name of 9,10-dichloro-1,2,3,4-tetramethylanthracene (CID 139963495) is 9,10-dichloro-1,2,3,4-tetramethylanthracene.
What is the SMILES notation for 9,10-dichloro-1,2,3,4-tetramethylanthracene?
The canonical SMILES for 9,10-dichloro-1,2,3,4-tetramethylanthracene is Cc1c(C)c(C)c2c(Cl)c3ccccc3c(Cl)c2c1C.
What is the InChIKey of 9,10-dichloro-1,2,3,4-tetramethylanthracene?
The InChIKey is OVVJFUVSEPQPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2/c1-9-10(2)12(4)16-15(11(9)3)17(19)13-7-5-6-8-14(13)18(16)20/h5-8H,1-4H3.
What are the key properties of 9,10-dichloro-1,2,3,4-tetramethylanthracene?
9,10-dichloro-1,2,3,4-tetramethylanthracene has a molecular weight of 303.23 g/mol, XLogP of 6.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dichloro-1,2,3,4-tetramethylanthracene is sourced from PubChem (CID 139963495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).