1-[(3-chlorophenyl)methyl]naphthalene

C17H13Cl — CID 173131881

IUPAC1-[(3-chlorophenyl)methyl]naphthalene
SMILESClc1cccc(Cc2cccc3ccccc23)c1
InChIInChI=1S/C17H13Cl/c18-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)15/h1-10,12H,11H2
InChIKeyLYIVLKXWZNLGJY-UHFFFAOYSA-N
MW252.74 g/mol
LogP5.08
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]naphthalene

1-[(3-chlorophenyl)methyl]naphthalene (PubChem CID 173131881) has the molecular formula C17H13Cl and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]naphthalene
PubChem CID173131881
Molecular FormulaC17H13Cl
Molecular Weight252.74 g/mol
Exact Mass252.07
IUPAC Name1-[(3-chlorophenyl)methyl]naphthalene
SMILESClc1cccc(Cc2cccc3ccccc23)c1
InChIInChI=1S/C17H13Cl/c18-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)15/h1-10,12H,11H2
InChIKeyLYIVLKXWZNLGJY-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.74
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-chlorophenyl)-3-naphthalen-1-ylpropan-2-ol
CID 62608540
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
CID 66760372
CID 66760372
3-[(3-chlorophenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole
CID 1304543
5-(naphthalen-1-ylmethyl)benzene-1,3-diol
CID 10658318
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
CID 123254467
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene
CID 63530424
3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde
CID 960764
CID 57419547
CID 57419547

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]naphthalene?
The IUPAC name of 1-[(3-chlorophenyl)methyl]naphthalene (CID 173131881) is 1-[(3-chlorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]naphthalene?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]naphthalene is Clc1cccc(Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]naphthalene?
The InChIKey is LYIVLKXWZNLGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl/c18-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)15/h1-10,12H,11H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]naphthalene?
1-[(3-chlorophenyl)methyl]naphthalene has a molecular weight of 252.74 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]naphthalene is sourced from PubChem (CID 173131881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).