5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one

C12H16O2 — CID 89207701

IUPAC5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one
SMILESCCOC1=CCCC2=C1CCCC2=O
InChIInChI=1S/C12H16O2/c1-2-14-12-8-4-5-9-10(12)6-3-7-11(9)13/h8H,2-7H2,1H3
InChIKeyXGNBGCLPBBIEJT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.75
Rot. Bonds2

About 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one

5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one (PubChem CID 89207701) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one
PubChem CID89207701
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one
SMILESCCOC1=CCCC2=C1CCCC2=O
InChIInChI=1S/C12H16O2/c1-2-14-12-8-4-5-9-10(12)6-3-7-11(9)13/h8H,2-7H2,1H3
InChIKeyXGNBGCLPBBIEJT-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethoxy-3,4,7,8-tetrahydro-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

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one (CID 89207701) is 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one is CCOC1=CCCC2=C1CCCC2=O.
What is the InChIKey of 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one?
The InChIKey is XGNBGCLPBBIEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-14-12-8-4-5-9-10(12)6-3-7-11(9)13/h8H,2-7H2,1H3.
What are the key properties of 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one?
5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 89207701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).