2,2-dimethoxy-1-naphthalen-2-ylethanone

C14H14O3 — CID 14662913

IUPAC2,2-dimethoxy-1-naphthalen-2-ylethanone
SMILESCOC(OC)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O3/c1-16-14(17-2)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,1-2H3
InChIKeyAKFHCIAFKNZQAF-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.64
Rot. Bonds4

About 2,2-dimethoxy-1-naphthalen-2-ylethanone

2,2-dimethoxy-1-naphthalen-2-ylethanone (PubChem CID 14662913) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2,2-dimethoxy-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2,2-dimethoxy-1-naphthalen-2-ylethanone
PubChem CID14662913
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2,2-dimethoxy-1-naphthalen-2-ylethanone
SMILESCOC(OC)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O3/c1-16-14(17-2)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,1-2H3
InChIKeyAKFHCIAFKNZQAF-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-naphthalen-2-ylethanone?
The IUPAC name of 2,2-dimethoxy-1-naphthalen-2-ylethanone (CID 14662913) is 2,2-dimethoxy-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2,2-dimethoxy-1-naphthalen-2-ylethanone?
The canonical SMILES for 2,2-dimethoxy-1-naphthalen-2-ylethanone is COC(OC)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2,2-dimethoxy-1-naphthalen-2-ylethanone?
The InChIKey is AKFHCIAFKNZQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-16-14(17-2)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,1-2H3.
What are the key properties of 2,2-dimethoxy-1-naphthalen-2-ylethanone?
2,2-dimethoxy-1-naphthalen-2-ylethanone has a molecular weight of 230.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-naphthalen-2-ylethanone is sourced from PubChem (CID 14662913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).