5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one

C14H18O3 — CID 10466554

IUPAC5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCCOc1ccc(OCC)c2c1CCC(=O)C2
InChIInChI=1S/C14H18O3/c1-3-16-13-7-8-14(17-4-2)12-9-10(15)5-6-11(12)13/h7-8H,3-6,9H2,1-2H3
InChIKeySTCGBBZTVCSIMO-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.54
Rot. Bonds4

About 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one

5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 10466554) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID10466554
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCCOc1ccc(OCC)c2c1CCC(=O)C2
InChIInChI=1S/C14H18O3/c1-3-16-13-7-8-14(17-4-2)12-9-10(15)5-6-11(12)13/h7-8H,3-6,9H2,1-2H3
InChIKeySTCGBBZTVCSIMO-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-diethoxy-2,3-dihydroinden-1-one
CID 10262901
5,8-diethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 13357311
4-bromo-1-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62732047
8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 62732048
bis(3,4-diethoxyphenyl)methanone
CID 135325793
4-ethoxy-3-ethynylbenzoic acid
CID 138986371
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
CID 162348534
1-(3,4-diethoxyphenyl)-3,3-dimethylbutan-1-one
CID 43337636
1-(2,5-diethoxyphenyl)piperidin-4-one
CID 24711374
(E)-3-(4-ethoxy-3-fluorophenyl)but-2-enoic acid
CID 82287324
ethyl 3,4-diethoxybenzoate
CID 586407

Frequently Asked Questions

What is the IUPAC name of 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one (CID 10466554) is 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one is CCOc1ccc(OCC)c2c1CCC(=O)C2.
What is the InChIKey of 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is STCGBBZTVCSIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-16-13-7-8-14(17-4-2)12-9-10(15)5-6-11(12)13/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one?
5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 234.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethoxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 10466554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).