2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one

C14H18O3 — CID 70423152

IUPAC2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOC1Cc2ccccc2C(=O)C1OCC
InChIInChI=1S/C14H18O3/c1-3-16-12-9-10-7-5-6-8-11(10)13(15)14(12)17-4-2/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyFOEYHSRFDFTXFA-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.24
Rot. Bonds4

About 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one

2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 70423152) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID70423152
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOC1Cc2ccccc2C(=O)C1OCC
InChIInChI=1S/C14H18O3/c1-3-16-12-9-10-7-5-6-8-11(10)13(15)14(12)17-4-2/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyFOEYHSRFDFTXFA-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one (CID 70423152) is 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one is CCOC1Cc2ccccc2C(=O)C1OCC.
What is the InChIKey of 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FOEYHSRFDFTXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-16-12-9-10-7-5-6-8-11(10)13(15)14(12)17-4-2/h5-8,12,14H,3-4,9H2,1-2H3.
What are the key properties of 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one?
2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 70423152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).