1-(chloromethyl)-1-methoxy-2H-naphthalene

C12H13ClO — CID 155163212

IUPAC1-(chloromethyl)-1-methoxy-2H-naphthalene
SMILESCOC1(CCl)CC=Cc2ccccc21
InChIInChI=1S/C12H13ClO/c1-14-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-7H,8-9H2,1H3
InChIKeyRVBWRAYCFBFSGH-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.18
Rot. Bonds2

About 1-(chloromethyl)-1-methoxy-2H-naphthalene

1-(chloromethyl)-1-methoxy-2H-naphthalene (PubChem CID 155163212) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-(chloromethyl)-1-methoxy-2H-naphthalene.

Molecular Properties

Compound Name1-(chloromethyl)-1-methoxy-2H-naphthalene
PubChem CID155163212
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name1-(chloromethyl)-1-methoxy-2H-naphthalene
SMILESCOC1(CCl)CC=Cc2ccccc21
InChIInChI=1S/C12H13ClO/c1-14-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-7H,8-9H2,1H3
InChIKeyRVBWRAYCFBFSGH-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-methoxy-2H-naphthalene?
The IUPAC name of 1-(chloromethyl)-1-methoxy-2H-naphthalene (CID 155163212) is 1-(chloromethyl)-1-methoxy-2H-naphthalene.
What is the SMILES notation for 1-(chloromethyl)-1-methoxy-2H-naphthalene?
The canonical SMILES for 1-(chloromethyl)-1-methoxy-2H-naphthalene is COC1(CCl)CC=Cc2ccccc21.
What is the InChIKey of 1-(chloromethyl)-1-methoxy-2H-naphthalene?
The InChIKey is RVBWRAYCFBFSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-14-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-7H,8-9H2,1H3.
What are the key properties of 1-(chloromethyl)-1-methoxy-2H-naphthalene?
1-(chloromethyl)-1-methoxy-2H-naphthalene has a molecular weight of 208.69 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-methoxy-2H-naphthalene is sourced from PubChem (CID 155163212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).