4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene

C18H14Cl2 — CID 100958496

IUPAC4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene
SMILES[2H]c1c([2H])c([2H])c(-c2c(C)c(C)c(Cl)c3cc(Cl)ccc23)c([2H])c1[2H]
InChIInChI=1S/C18H14Cl2/c1-11-12(2)18(20)16-10-14(19)8-9-15(16)17(11)13-6-4-3-5-7-13/h3-10H,1-2H3/i3D,4D,5D,6D,7D
InChIKeyGULSOTFOQXHNFN-DKFMXDSJSA-N
MW306.25 g/mol
LogP6.43
Rot. Bonds1

About 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene

4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene (PubChem CID 100958496) has the molecular formula C18H14Cl2 and a molecular weight of 306.25 g/mol. Its IUPAC name is 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene.

Molecular Properties

Compound Name4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene
PubChem CID100958496
Molecular FormulaC18H14Cl2
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene
SMILES[2H]c1c([2H])c([2H])c(-c2c(C)c(C)c(Cl)c3cc(Cl)ccc23)c([2H])c1[2H]
InChIInChI=1S/C18H14Cl2/c1-11-12(2)18(20)16-10-14(19)8-9-15(16)17(11)13-6-4-3-5-7-13/h3-10H,1-2H3/i3D,4D,5D,6D,7D
InChIKeyGULSOTFOQXHNFN-DKFMXDSJSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene?
The IUPAC name of 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene (CID 100958496) is 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene.
What is the SMILES notation for 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene?
The canonical SMILES for 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene is [2H]c1c([2H])c([2H])c(-c2c(C)c(C)c(Cl)c3cc(Cl)ccc23)c([2H])c1[2H].
What is the InChIKey of 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene?
The InChIKey is GULSOTFOQXHNFN-DKFMXDSJSA-N. The full InChI is InChI=1S/C18H14Cl2/c1-11-12(2)18(20)16-10-14(19)8-9-15(16)17(11)13-6-4-3-5-7-13/h3-10H,1-2H3/i3D,4D,5D,6D,7D.
What are the key properties of 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene?
4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene has a molecular weight of 306.25 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene is sourced from PubChem (CID 100958496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).