1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene

C21H14Cl2 — CID 173152274

IUPAC1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene
SMILESClc1cccc2c(Cc3cccc4c(Cl)cccc34)cccc12
InChIInChI=1S/C21H14Cl2/c22-20-11-3-7-16-14(5-1-9-18(16)20)13-15-6-2-10-19-17(15)8-4-12-21(19)23/h1-12H,13H2
InChIKeyKZFDXOPAQSIQOA-UHFFFAOYSA-N
MW337.25 g/mol
LogP6.89
Rot. Bonds2

About 1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene

1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene (PubChem CID 173152274) has the molecular formula C21H14Cl2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene.

Molecular Properties

Compound Name1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene
PubChem CID173152274
Molecular FormulaC21H14Cl2
Molecular Weight337.25 g/mol
Exact Mass336.05
IUPAC Name1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene
SMILESClc1cccc2c(Cc3cccc4c(Cl)cccc34)cccc12
InChIInChI=1S/C21H14Cl2/c22-20-11-3-7-16-14(5-1-9-18(16)20)13-15-6-2-10-19-17(15)8-4-12-21(19)23/h1-12H,13H2
InChIKeyKZFDXOPAQSIQOA-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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Related Compounds

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1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
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1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene?
The IUPAC name of 1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene (CID 173152274) is 1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene.
What is the SMILES notation for 1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene?
The canonical SMILES for 1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene is Clc1cccc2c(Cc3cccc4c(Cl)cccc34)cccc12.
What is the InChIKey of 1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene?
The InChIKey is KZFDXOPAQSIQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2/c22-20-11-3-7-16-14(5-1-9-18(16)20)13-15-6-2-10-19-17(15)8-4-12-21(19)23/h1-12H,13H2.
What are the key properties of 1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene?
1-chloro-5-[(5-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-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene is sourced from PubChem (CID 173152274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).