7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene

C21H20Cl2 — CID 25136378

IUPAC7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene
SMILESCC(C)=C1C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2C1(C)C
InChIInChI=1S/C21H20Cl2/c1-13(2)19-12-18(14-5-7-15(22)8-6-14)17-10-9-16(23)11-20(17)21(19,3)4/h5-12H,1-4H3
InChIKeyLAGZSXDSTVZSGV-UHFFFAOYSA-N
MW343.30 g/mol
LogP7.05
Rot. Bonds1

About 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene

7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene (PubChem CID 25136378) has the molecular formula C21H20Cl2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene.

Molecular Properties

Compound Name7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene
PubChem CID25136378
Molecular FormulaC21H20Cl2
Molecular Weight343.30 g/mol
Exact Mass342.09
IUPAC Name7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene
SMILESCC(C)=C1C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2C1(C)C
InChIInChI=1S/C21H20Cl2/c1-13(2)19-12-18(14-5-7-15(22)8-6-14)17-10-9-16(23)11-20(17)21(19,3)4/h5-12H,1-4H3
InChIKeyLAGZSXDSTVZSGV-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.30
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene?
The IUPAC name of 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene (CID 25136378) is 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene.
What is the SMILES notation for 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene?
The canonical SMILES for 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene is CC(C)=C1C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2C1(C)C.
What is the InChIKey of 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene?
The InChIKey is LAGZSXDSTVZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2/c1-13(2)19-12-18(14-5-7-15(22)8-6-14)17-10-9-16(23)11-20(17)21(19,3)4/h5-12H,1-4H3.
What are the key properties of 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene?
7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene has a molecular weight of 343.30 g/mol, XLogP of 7.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene is sourced from PubChem (CID 25136378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).