7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

C15H20O5 — CID 162989509

IUPAC7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOC(C)c1c(OC)cc2c(c1O)C(=O)CCC2O
InChIInChI=1S/C15H20O5/c1-4-20-8(2)13-12(19-3)7-9-10(16)5-6-11(17)14(9)15(13)18/h7-8,10,16,18H,4-6H2,1-3H3
InChIKeyLZCGYNOACMSXSZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.51
Rot. Bonds4

About 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 162989509) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID162989509
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOC(C)c1c(OC)cc2c(c1O)C(=O)CCC2O
InChIInChI=1S/C15H20O5/c1-4-20-8(2)13-12(19-3)7-9-10(16)5-6-11(17)14(9)15(13)18/h7-8,10,16,18H,4-6H2,1-3H3
InChIKeyLZCGYNOACMSXSZ-UHFFFAOYSA-N
XLogP2.51
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one with MolForge

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

Launch Full Analysis

Related Compounds

4,8-dihydroxy-7-(1-hydroxyethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 162911421
(4S)-7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 15061196
(3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139588653
3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one
CID 140767261
4-(1-ethoxyethyl)phenol
CID 15774870
4-chloro-2,6-bis(1-ethoxyethyl)phenol
CID 22323621
8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 18361942
propan-2-yl 4-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843424
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide
CID 141150427
ethyl 4-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843422
(1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol
CID 10998815

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 162989509) is 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is CCOC(C)c1c(OC)cc2c(c1O)C(=O)CCC2O.
What is the InChIKey of 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LZCGYNOACMSXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-4-20-8(2)13-12(19-3)7-9-10(16)5-6-11(17)14(9)15(13)18/h7-8,10,16,18H,4-6H2,1-3H3.
What are the key properties of 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 280.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 162989509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).