1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene

C21H14Cl2 — CID 172751117

IUPAC1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene
SMILESClc1ccc(Cc2ccc(Cl)c3ccccc23)c2ccccc12
InChIInChI=1S/C21H14Cl2/c22-20-11-9-14(16-5-1-3-7-18(16)20)13-15-10-12-21(23)19-8-4-2-6-17(15)19/h1-12H,13H2
InChIKeyYNEHHQVVUKQIRW-UHFFFAOYSA-N
MW337.25 g/mol
LogP6.89
Rot. Bonds2

About 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene

1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene (PubChem CID 172751117) has the molecular formula C21H14Cl2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene
PubChem CID172751117
Molecular FormulaC21H14Cl2
Molecular Weight337.25 g/mol
Exact Mass336.05
IUPAC Name1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene
SMILESClc1ccc(Cc2ccc(Cl)c3ccccc23)c2ccccc12
InChIInChI=1S/C21H14Cl2/c22-20-11-9-14(16-5-1-3-7-18(16)20)13-15-10-12-21(23)19-8-4-2-6-17(15)19/h1-12H,13H2
InChIKeyYNEHHQVVUKQIRW-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene?
The IUPAC name of 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene (CID 172751117) is 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene.
What is the SMILES notation for 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene?
The canonical SMILES for 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene is Clc1ccc(Cc2ccc(Cl)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene?
The InChIKey is YNEHHQVVUKQIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2/c22-20-11-9-14(16-5-1-3-7-18(16)20)13-15-10-12-21(23)19-8-4-2-6-17(15)19/h1-12H,13H2.
What are the key properties of 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene?
1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene has a molecular weight of 337.25 g/mol, XLogP of 6.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene is sourced from PubChem (CID 172751117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).