6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one

C13H16O3 — CID 65369803

IUPAC6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C13H16O3/c1-2-15-9-16-11-6-7-12-10(8-11)4-3-5-13(12)14/h6-8H,2-5,9H2,1H3
InChIKeyCHESEVBLJMZQNZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.58
Rot. Bonds4

About 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one

6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65369803) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65369803
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C13H16O3/c1-2-15-9-16-11-6-7-12-10(8-11)4-3-5-13(12)14/h6-8H,2-5,9H2,1H3
InChIKeyCHESEVBLJMZQNZ-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410334
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410330
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703
6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 64748496
6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 109415774

Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 65369803) is 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one is CCOCOc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is CHESEVBLJMZQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-15-9-16-11-6-7-12-10(8-11)4-3-5-13(12)14/h6-8H,2-5,9H2,1H3.
What are the key properties of 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 220.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65369803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).