1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene

C18H15ClO — CID 169227684

IUPAC1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1-c1ccccc1CCl
InChIInChI=1S/C18H15ClO/c1-20-17-11-10-13-6-2-4-8-15(13)18(17)16-9-5-3-7-14(16)12-19/h2-11H,12H2,1H3
InChIKeyWVTADFJGFXFKDG-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.25
Rot. Bonds3

About 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene

1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene (PubChem CID 169227684) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene.

Molecular Properties

Compound Name1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene
PubChem CID169227684
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1-c1ccccc1CCl
InChIInChI=1S/C18H15ClO/c1-20-17-11-10-13-6-2-4-8-15(13)18(17)16-9-5-3-7-14(16)12-19/h2-11H,12H2,1H3
InChIKeyWVTADFJGFXFKDG-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
CID 10952722
1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene
CID 122233213
4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
CID 126696020
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
4-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117353085
4-(2-methoxynaphthalen-1-yl)anthracen-2-ol
CID 132597550
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
CID 162414492
4-(2-methoxynaphthalen-1-yl)-5-naphthalen-1-yl-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran
CID 122215151

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene?
The IUPAC name of 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene (CID 169227684) is 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene.
What is the SMILES notation for 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene?
The canonical SMILES for 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene is COc1ccc2ccccc2c1-c1ccccc1CCl.
What is the InChIKey of 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene?
The InChIKey is WVTADFJGFXFKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO/c1-20-17-11-10-13-6-2-4-8-15(13)18(17)16-9-5-3-7-14(16)12-19/h2-11H,12H2,1H3.
What are the key properties of 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene?
1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene has a molecular weight of 282.77 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene is sourced from PubChem (CID 169227684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).