2-(chloromethoxymethyl)naphthalene

C12H11ClO — CID 101409515

IUPAC2-(chloromethoxymethyl)naphthalene
SMILESClCOCc1ccc2ccccc2c1
InChIInChI=1S/C12H11ClO/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2
InChIKeyJWLIHCRRWYZQGL-UHFFFAOYSA-N
MW206.67 g/mol
LogP3.55
Rot. Bonds3

About 2-(chloromethoxymethyl)naphthalene

2-(chloromethoxymethyl)naphthalene (PubChem CID 101409515) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-(chloromethoxymethyl)naphthalene.

Molecular Properties

Compound Name2-(chloromethoxymethyl)naphthalene
PubChem CID101409515
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name2-(chloromethoxymethyl)naphthalene
SMILESClCOCc1ccc2ccccc2c1
InChIInChI=1S/C12H11ClO/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2
InChIKeyJWLIHCRRWYZQGL-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(chloromethoxymethyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Naphthalenemethanol
CID 74128
2-(Naphthalen-2-yl)oxirane
CID 30333
1-Naphthylmethyl methyl ether
CID 22195
Naphthalan
CID 588214
4-Methyl-1-naphthalenemethanol
CID 278678
9-Anthryloxirane
CID 43720
1-Pyrenyloxirane
CID 100333
1-Naphthylmethyl acetate
CID 96329
1,4-Naphthalenedimethanol
CID 15536753
2-Methoxy-2-(2-naphthyl)acetonitrile
CID 10104166
2-Ethoxy-2-(2-naphthyl)acetonitrile
CID 10262571
1a,9a-Dihydrophenanthro(1,2-b)oxirene
CID 148323

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxymethyl)naphthalene?
The IUPAC name of 2-(chloromethoxymethyl)naphthalene (CID 101409515) is 2-(chloromethoxymethyl)naphthalene.
What is the SMILES notation for 2-(chloromethoxymethyl)naphthalene?
The canonical SMILES for 2-(chloromethoxymethyl)naphthalene is ClCOCc1ccc2ccccc2c1.
What is the InChIKey of 2-(chloromethoxymethyl)naphthalene?
The InChIKey is JWLIHCRRWYZQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2.
What are the key properties of 2-(chloromethoxymethyl)naphthalene?
2-(chloromethoxymethyl)naphthalene has a molecular weight of 206.67 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxymethyl)naphthalene is sourced from PubChem (CID 101409515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).