2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride

C15H15ClO2 — CID 143282604

IUPAC2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride
SMILESCOCc1ccc2cc(C(C)C(=O)Cl)ccc2c1
InChIInChI=1S/C15H15ClO2/c1-10(15(16)17)12-5-6-13-7-11(9-18-2)3-4-14(13)8-12/h3-8,10H,9H2,1-2H3
InChIKeyAOBYOBWTTMGDPS-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.86
Rot. Bonds4

About 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride

2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride (PubChem CID 143282604) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride.

Molecular Properties

Compound Name2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride
PubChem CID143282604
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride
SMILESCOCc1ccc2cc(C(C)C(=O)Cl)ccc2c1
InChIInChI=1S/C15H15ClO2/c1-10(15(16)17)12-5-6-13-7-11(9-18-2)3-4-14(13)8-12/h3-8,10H,9H2,1-2H3
InChIKeyAOBYOBWTTMGDPS-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride?
The IUPAC name of 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride (CID 143282604) is 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride.
What is the SMILES notation for 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride?
The canonical SMILES for 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride is COCc1ccc2cc(C(C)C(=O)Cl)ccc2c1.
What is the InChIKey of 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride?
The InChIKey is AOBYOBWTTMGDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-10(15(16)17)12-5-6-13-7-11(9-18-2)3-4-14(13)8-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride?
2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride has a molecular weight of 262.74 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride is sourced from PubChem (CID 143282604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).